Research chemical
CAS Number: 1093377-03-7
![5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol molecular structure, CAS 1093377-03-7](/structure-images/1093377-03-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
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
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
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.
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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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.
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.
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 and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.