11beta-Hydroxyetiocholanolone
TL;DR: 11beta-Hydroxyetiocholanolone (CAS 739-26-4) is a chemical compound with molecular formula C19H30O3 and molecular weight 306.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Also Known As: 11beta-Hydroxyetiocholanolone, 11-Hydroxyetiocholanolone, 11b-Hydroxy Etiocholanolone, 11beta-Hydroxy Etiocholanolone, 11B-HYDROXYETIOCHOLANOLONE
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 739-26-4 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O |
| InChIKey | PIXFHVWJOVNKQK-DLAZEALESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11beta-Hydroxyetiocholanolone (CAS 739-26-4), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: (3R,5R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 11beta-Hydroxyetiocholanolone
Property Insights of 11beta-Hydroxyetiocholanolone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11beta-Hydroxyetiocholanolone. With a topological polar surface area (TPSA) of 57.5 Ų, 11beta-Hydroxyetiocholanolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11beta-Hydroxyetiocholanolone 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 11beta-Hydroxyetiocholanolone?
The CAS number of 11beta-Hydroxyetiocholanolone is 739-26-4.
What is the molecular formula of 11beta-Hydroxyetiocholanolone?
The molecular formula of 11beta-Hydroxyetiocholanolone is C19H30O3.
What is the molecular weight of 11beta-Hydroxyetiocholanolone?
The molecular weight of 11beta-Hydroxyetiocholanolone is 306.22 g/mol.
Where can I buy 11beta-Hydroxyetiocholanolone?
You can request a quote for 11beta-Hydroxyetiocholanolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11beta-Hydroxyetiocholanolone?
Yes, KEHONG BIO provides custom synthesis services for 11beta-Hydroxyetiocholanolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.