19-Mercaptoandrost-4-ene-3,17-dione
TL;DR: 19-Mercaptoandrost-4-ene-3,17-dione (CAS 90212-02-5) is a chemical compound with molecular formula C19H26O2S and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10S,13S,14S)-13-methyl-10-(sulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 19-Maed, 19-Mercaptoandrost-4-ene-3,17-dione, 19-mercapto-4-androstene-3,17-dione, 19-Sulfanylandrost-4-ene-3,17-dione, Androst-4-ene-3,17-dione,19-mercapto
| Molecular Formula | C19H26O2S |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.16534 |
| Heavy Atoms | 22 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 90212-02-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CS |
| InChIKey | KNNWZTLIWIMQIQ-BGJMDTOESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
19-Mercaptoandrost-4-ene-3,17-dione (CAS 90212-02-5), with molecular formula C19H26O2S and molecular weight 318.17 g/mol. IUPAC: (8S,9S,10S,13S,14S)-13-methyl-10-(sulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 19-Mercaptoandrost-4-ene-3,17-dione
Property Insights of 19-Mercaptoandrost-4-ene-3,17-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Mercaptoandrost-4-ene-3,17-dione. With a topological polar surface area (TPSA) of 35.1 Ų, 19-Mercaptoandrost-4-ene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Mercaptoandrost-4-ene-3,17-dione has 1 hydrogen bond donor(s) and 3 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 19-Mercaptoandrost-4-ene-3,17-dione?
The CAS number of 19-Mercaptoandrost-4-ene-3,17-dione is 90212-02-5.
What is the molecular formula of 19-Mercaptoandrost-4-ene-3,17-dione?
The molecular formula of 19-Mercaptoandrost-4-ene-3,17-dione is C19H26O2S.
What is the molecular weight of 19-Mercaptoandrost-4-ene-3,17-dione?
The molecular weight of 19-Mercaptoandrost-4-ene-3,17-dione is 318.17 g/mol.
Where can I buy 19-Mercaptoandrost-4-ene-3,17-dione?
You can request a quote for 19-Mercaptoandrost-4-ene-3,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Mercaptoandrost-4-ene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 19-Mercaptoandrost-4-ene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.