15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate
TL;DR: 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate (CAS 94196-51-7) is a chemical compound with molecular formula C23H32O4S and molecular weight 404.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(7R,8R,9S,10R,13S,14S,15R,17S)-17-acetyl-15-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] ethanethioate
Also Known As: 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate, J2.790.719I, S-[(7R,8R,9S,10R,13S,14S,15R,17S)-17-acetyl-15-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] ethanethioate, 15beta-Hydroxy-7alpha-(acetylthio)pregna-4-ene-3,20-dione, S-[(7alpha,15beta)-15-hydroxy-3,20-dioxopregn-4-en-7-yl] eth
| Molecular Formula | C23H32O4S |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.20212 |
| Heavy Atoms | 28 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 94196-51-7 |
|---|---|
| SMILES | CC(=O)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)SC(=O)C)C)O |
| InChIKey | YYFCRMZCEYYPDO-SSKFVTQDSA-N |
Product Overview
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate (CAS 94196-51-7), with molecular formula C23H32O4S and molecular weight 404.20 g/mol. IUPAC: S-[(7R,8R,9S,10R,13S,14S,15R,17S)-17-acetyl-15-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] ethanethioate.
Chemical Property Profile of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate
Property Insights of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate. Following Lipinski's Rule of Five, 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate has 1 hydrogen bond donor(s) and 5 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 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate?
The CAS number of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate is 94196-51-7.
What is the molecular formula of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate?
The molecular formula of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate is C23H32O4S.
What is the molecular weight of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate?
The molecular weight of 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate is 404.20 g/mol.
Where can I buy 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate?
You can request a quote for 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate?
Yes, KEHONG BIO provides custom synthesis services for 15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.