RefChem:319539
TL;DR: RefChem:319539 (CAS 95671-15-1) is a chemical compound with molecular formula C23H36N2O3S and molecular weight 420.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
Also Known As: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(methylamino)-4-thiazolyl)-, monohydrate, 17-beta-(2-(Methylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol monohydrate, 17-[2-(Methylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,17-diol--water (1/1), (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrate, 17beta-[2-(Methylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3beta,17alpha-diol--water (1/1)
| Molecular Formula | C23H36N2O3S |
|---|---|
| Molecular Weight | 420.24 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.24466 |
| Heavy Atoms | 29 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 95671-15-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC)O)C)O.O |
| InChIKey | KNAYCVWNRFOTMP-SEWWNTSASA-N |
Product Overview
RefChem:319539 (CAS 95671-15-1), with molecular formula C23H36N2O3S and molecular weight 420.24 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate.
Chemical Property Profile of RefChem:319539
Property Insights of RefChem:319539
The XLogP value of 3.87 indicates that RefChem:319539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319539. Following Lipinski's Rule of Five, RefChem:319539 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319539?
The CAS number of RefChem:319539 is 95671-15-1.
What is the molecular formula of RefChem:319539?
The molecular formula of RefChem:319539 is C23H36N2O3S.
What is the molecular weight of RefChem:319539?
The molecular weight of RefChem:319539 is 420.24 g/mol.
Where can I buy RefChem:319539?
You can request a quote for RefChem:319539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319539?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.