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Research chemical

[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate

CAS Number: 1017857-38-3

Chemical structure
[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate molecular structure, CAS 1017857-38-3

Product details

Identity & specification

Molecular formula
C36H49ClN4O7S
Molecular weight
717.3 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

24764458

Exact Mass

716.301049

InChIKey

NLEWMFKEAMXROY-DHUJRADRSA-N

SMILES String

CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O

Physical Properties

No physical property values available.

Show more physical data

XLogP

6.1

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

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

49

H-bond acceptors

11

H-bond donors

6

Rotatable bonds

18

Ring count

4

Aromatic rings

3

Topological polar surface area

160.46 Ų

Computed LogP

6.86

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

No

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

30 g/mol.

Sourcing context

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

Research use context

Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, synthetic chemistry workflows, research chemical sourcing.

Documentation needs

Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.

Applications & Classification

Synthetic ChemistryHeterocyclic Building BlocksResearch Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Muscarinic acetylcholine receptor M3 (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M3 (Cavia porcellus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Muscarinic acetylcholine receptor M3

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.14

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M3

Cavia porcellus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.92

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.

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarityDibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateView related compound →Structure similarity6-Chloro-2-(2-(3-((6-chloro-1-ethylbenz(c,d,)indole-2(1H)-ylidene)ethyl idene)-2-phenyl-1-cyclopenten-1-yl)ethenyl)-1-ethylbenz(c,d)indolium tetrafluoroborateView related compound →Structure similarity5-Bromo-2,9-bis(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraoneView related compound →Structure similarity1H-Benzimidazole-5-carboxylic acid, 2-[[5-bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]amino]-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl esterView related compound →Structure similarityDCP-Rho1View related compound →

Procurement questions

What are the key identifiers for [1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate (CAS 1017857-38-3)?

[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate is identified by CAS 1017857-38-3, with molecular formula C36H49ClN4O7S, molecular weight 717.3, InChIKey NLEWMFKEAMXROY-DHUJRADRSA-N.

Does CAS 1017857-38-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M3. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1017857-38-3?

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

Can I request supplier SDS for [1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate?

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

Is CAS 1017857-38-3 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.