11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one
TL;DR: 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one (CAS 3386-04-7) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyethylidene)-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one, 11beta,21-Dihydroxy-6alpha-methylpregna-4,17-dien-3-one, (6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyethylidene)-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 3386-04-7 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC(=CCO)[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C |
| InChIKey | URZZKSAZQICNQI-BNWDEUASSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one (CAS 3386-04-7), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: (6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyethylidene)-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one
Property Insights of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one has 2 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 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one?
The CAS number of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one is 3386-04-7.
What is the molecular formula of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one?
The molecular formula of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one is C22H32O3.
What is the molecular weight of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one?
The molecular weight of 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one is 344.24 g/mol.
Where can I buy 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one?
You can request a quote for 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 11,21-Dihydroxy-6-methylpregna-4,17-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.