RefChem:319531
TL;DR: RefChem:319531 (CAS 96262-20-3) is a chemical compound with molecular formula C23H30N2O3S and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: 17-alpha-Hydroxy-17-beta-(2-(methylamino)-4-thiazolyl)androst-4-ene-3,11-dione, Androst-4-ene-3,11-dione, 17-alpha-hydroxy-17-beta-(2-(methylamino)-4-thiazolyl)-, (8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione, 17-Hydroxy-17-[2-(methylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,11-dione, ANDROST-4-ENE-3,11-DIONE, 17-alpha-HYDROXY-17-beta-(2-(METHYLAMINO)-4-THIAZOLYL)
| Molecular Formula | C23H30N2O3S |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.19772 |
| Heavy Atoms | 29 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 96262-20-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC)O)C |
| InChIKey | YTFYVDNRAVXPEU-JSSOTJSQSA-N |
Product Overview
RefChem:319531 (CAS 96262-20-3), with molecular formula C23H30N2O3S and molecular weight 414.20 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of RefChem:319531
Property Insights of RefChem:319531
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319531. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319531. Following Lipinski's Rule of Five, RefChem:319531 has 2 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:319531?
The CAS number of RefChem:319531 is 96262-20-3.
What is the molecular formula of RefChem:319531?
The molecular formula of RefChem:319531 is C23H30N2O3S.
What is the molecular weight of RefChem:319531?
The molecular weight of RefChem:319531 is 414.20 g/mol.
Where can I buy RefChem:319531?
You can request a quote for RefChem:319531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319531?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.