12-Hydroxyandrosta-1,4-diene-3,17-dione
TL;DR: 12-Hydroxyandrosta-1,4-diene-3,17-dione (CAS 28840-96-2) is a chemical compound with molecular formula C19H24O3 and molecular weight 300.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 12-Ohdd, 12-Hydroxyandrosta-1,4-diene-3,17-dione, 12-hydroxy-1,4-androstadiene-3,17-dione, Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)-, Androsta-1,4-diene-3,17-dione, 12-hydroxy-, (12beta)-
| Molecular Formula | C19H24O3 |
|---|---|
| Molecular Weight | 300.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.17255 |
| Heavy Atoms | 22 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 28840-96-2 |
|---|---|
| SMILES | C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2CC([C@]4([C@H]3CCC4=O)C)O |
| InChIKey | ZHWCPUFUYVTHSO-LADWCZHWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Hydroxyandrosta-1,4-diene-3,17-dione (CAS 28840-96-2), with molecular formula C19H24O3 and molecular weight 300.17 g/mol. IUPAC: (8R,9S,10R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 12-Hydroxyandrosta-1,4-diene-3,17-dione
Property Insights of 12-Hydroxyandrosta-1,4-diene-3,17-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Hydroxyandrosta-1,4-diene-3,17-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 12-Hydroxyandrosta-1,4-diene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Hydroxyandrosta-1,4-diene-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 12-Hydroxyandrosta-1,4-diene-3,17-dione?
The CAS number of 12-Hydroxyandrosta-1,4-diene-3,17-dione is 28840-96-2.
What is the molecular formula of 12-Hydroxyandrosta-1,4-diene-3,17-dione?
The molecular formula of 12-Hydroxyandrosta-1,4-diene-3,17-dione is C19H24O3.
What is the molecular weight of 12-Hydroxyandrosta-1,4-diene-3,17-dione?
The molecular weight of 12-Hydroxyandrosta-1,4-diene-3,17-dione is 300.17 g/mol.
Where can I buy 12-Hydroxyandrosta-1,4-diene-3,17-dione?
You can request a quote for 12-Hydroxyandrosta-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 12-Hydroxyandrosta-1,4-diene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 12-Hydroxyandrosta-1,4-diene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.