7,12-Dihydroxyandrosta-1,4-diene-3,17-dione
TL;DR: 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione (CAS 90872-00-7) is a chemical compound with molecular formula C19H24O4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R,9S,10R,12R,13R,14S)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione, Sid 771692, 7alpha,12beta-Dihydroxyandrosta-1,4-diene-3,17-dione, J3.313.087B, A,12
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.16745 |
| Heavy Atoms | 23 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 90872-00-7 |
|---|---|
| SMILES | C[C@]12C=CC(=O)C=C1C[C@H]([C@@H]3[C@@H]2C[C@H]([C@]4([C@H]3CCC4=O)C)O)O |
| InChIKey | BWQVWSWLOMBYLM-USYVIYLSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,12-Dihydroxyandrosta-1,4-diene-3,17-dione (CAS 90872-00-7), with molecular formula C19H24O4 and molecular weight 316.17 g/mol. IUPAC: (7R,8R,9S,10R,12R,13R,14S)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione
Property Insights of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione. Following Lipinski's Rule of Five, 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione has 2 hydrogen bond donor(s) and 4 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 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione?
The CAS number of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione is 90872-00-7.
What is the molecular formula of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione?
The molecular formula of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione is C19H24O4.
What is the molecular weight of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione?
The molecular weight of 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione is 316.17 g/mol.
Where can I buy 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione?
You can request a quote for 7,12-Dihydroxyandrosta-1,4-diene-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 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.