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Research chemical

5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol

CAS Number: 1093377-03-7

Chemical structure
5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol molecular structure, CAS 1093377-03-7

Product details

Identity & specification

Molecular formula
C12H19NO3
Molecular weight
225.28 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

6604023

Exact Mass

225.136493

InChIKey

XWTYSIMOBUGWOL-NSHDSACASA-N

SMILES String

CC(C)(C)NC[C@H](O)c1cc(O)cc(O)c1

Physical Properties

No physical property values available.

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

16

H-bond acceptors

4

H-bond donors

4

Rotatable bonds

3

Ring count

1

Aromatic rings

1

Topological polar surface area

72.72 Ų

Computed LogP

1.52

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

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

5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol (CAS 1093377-03-7) is maintained as a commercial cas reference with formula C12H19NO3, molecular weight 225. 28 g/mol, PubChem CID 6604023.

Sourcing context

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

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch 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: Hypoxia-inducible factor 1-alpha (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Cytochrome P450 2C9 (Homo sapiens) — 2 assays; Thyrotropin receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Hypoxia-inducible factor 1-alpha

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 8.1

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.3

Experimental evidence source: ChEMBL

Cytochrome P450 2C9

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.2

Experimental evidence source: ChEMBL

Thyrotropin receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5

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 similaritytert-Butyl 4-oxo-6-azaspiro[2.5]octane-6-carboxylateView related compound →Structure similaritytert-butyl N-(6-oxospiro(3.3)heptan-2-yl)carbamateView related compound →Structure similarity2-{[Bis(2-hydroxyethyl)amino]methyl}-6-methylphenolView related compound →Structure similarity3-(4-Methoxyphenyl)-1lambda~4~,3-thiazolane-1,4-dioneView related compound →Structure similarity1-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indoleView related compound →

Procurement questions

What are the key identifiers for 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol (CAS 1093377-03-7)?

5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol is identified by CAS 1093377-03-7, with molecular formula C12H19NO3, molecular weight 225.28, InChIKey XWTYSIMOBUGWOL-NSHDSACASA-N.

Does CAS 1093377-03-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Hypoxia-inducible factor 1-alpha, Cytochrome P450 3A4, Cytochrome P450 2C9, Thyrotropin receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1093377-03-7?

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

Can I request supplier SDS for 5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol?

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

Is CAS 1093377-03-7 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.