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Home/Compounds/CAS 15898-26-7
Formula C13H13NO2MW 215.25Research-use catalog entryCOA/SDS by request

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

CAS Number: 15898-26-7

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Loading RDKit molecule structure...
InChIKey: WNZAIUIEXCYTCY-UHFFFAOYSA-NC13H13NO2 | MW 215.25

Chemical Absolute Identifiers

CAS Number

15898-26-7

PubChem CID

459078

Molecular Formula

C13H13NO2

Molecular Weight

215.25 g/mol

Exact Mass

215.094629

InChIKey

WNZAIUIEXCYTCY-UHFFFAOYSA-N

IUPAC Name

4-(2,5-dimethylpyrrol-1-yl)benzoic acid

SMILES String

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 15898-26-7) is listed in the Advanced Chemicals portfolio, with molecular formula C13H13NO2 and molecular weight 215. 25 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays; DNA repair nuclease/redox regulator APEX1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1

Experimental evidence source: ChEMBL

DNA repair nuclease/redox regulator APEX1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.9

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

Names & Synonyms

4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acidBenzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzene-carboxylic acid4-(2,5-dimethyl-1-pyrrolyl)benzoic acid4-(2,5-dimethylpyrrolyl)benzoic acid
Show all synonyms
Maybridge1_006578Oprea1_047150Oprea1_664850cid_4590784-(2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylic acidp-(2,5-Dimethyl-1-pyrryl)benzoic acidN-(4-Carboxy)phenyl-2,5-dimethylpyrrolepyrrole, 1-(4-carboxy)phenyl-2,5-dimethyl-
External Identifiers
EC NUMBER: 630-155-5DSSTOX SUBSTANCE ID: DTXSID80332598CHEMBL ID: CHEMBL212827WIKIDATA ID: Q82097332
Experimental Spectrum References
13C NMR Spectra1H NMR Spectra
Literature & Patent References
DOI 10.1016/j.bmc.2016.12.049Highly predictive and interpretable models for PAMPA permeability.PMID 28082071Highly predictive and interpretable models for PAMPA permeability.DOI 10.1016/j.bmc.2015.06.042Benzoic acid derivatives with improved antifungal activity: Design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies.PMID 26154240Benzoic acid derivatives with improved antifungal activity: Design, synthesis, structure-activity relationship (SAR) and CYP53 docking studies.DOI 10.1016/j.bmc.2007.12.034Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.DOI 10.1021/jm800869tDesign, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.PMID 18226912Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.PMID 19053778Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoateCAS 26165-66-2
2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acidCAS 26165-63-9
5-(2,5-Dimethyl-pyrrol-1-yl)-2-hydroxy-benzoic acidCAS 313701-92-7
2,5-Dimethyl-1-phenylpyrroleCAS 83-24-9
1-(4-iodophenyl)-2,5-dimethyl-1H-pyrroleCAS 288608-09-3

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 26165-66-2Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoateCAS 26165-63-92-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acidCAS 313701-92-75-(2,5-Dimethyl-pyrrol-1-yl)-2-hydroxy-benzoic acidCAS 83-24-92,5-Dimethyl-1-phenylpyrroleCAS 288608-09-31-(4-iodophenyl)-2,5-dimethyl-1H-pyrroleCAS 4431-00-9Aurintricarboxylic AcidCAS 476-66-4Ellagic AcidCAS 481-39-0JugloneCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acid

RFQ questions for CAS 15898-26-7

What are the key identifiers for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 15898-26-7)?

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid is identified by CAS 15898-26-7, with molecular formula C13H13NO2, molecular weight 215.25, InChIKey WNZAIUIEXCYTCY-UHFFFAOYSA-N.

Does CAS 15898-26-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Tyrosyl-DNA phosphodiesterase 1, DNA repair nuclease/redox regulator APEX1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 15898-26-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 15898-26-7 available for quotation?

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