本胆烷醇酮
TL;DR: 本胆烷醇酮 (CAS 53-42-9) is a chemical compound with molecular formula C19H30O2 and molecular weight 290.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
本胆烷醇酮
(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-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: etiocholanolone, 5-Isoandrosterone, Aetiocholanolone, 5beta-Androsterone, 5b-androsterone
| Molecular Formula | C19H30O2 |
|---|---|
| Molecular Weight | 290.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.22458 |
| Heavy Atoms | 21 |
| Complexity | 458.0 |
| Melting Point | 152 - 154 °C |
Chemical Identifiers
| CAS Number | 53-42-9 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O |
| InChIKey | QGXBDMJGAMFCBF-BNSUEQOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
本胆烷醇酮 (CAS 53-42-9), with molecular formula C19H30O2 and molecular weight 290.22 g/mol. IUPAC: (3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-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 本胆烷醇酮
Property Insights of 本胆烷醇酮
The XLogP value of 3.7 indicates that 本胆烷醇酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 本胆烷醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 本胆烷醇酮 has 1 hydrogen bond donor(s) and 2 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 本胆烷醇酮?
The CAS number of 本胆烷醇酮 is 53-42-9.
What is the molecular formula of 本胆烷醇酮?
The molecular formula of 本胆烷醇酮 is C19H30O2.
What is the molecular weight of 本胆烷醇酮?
The molecular weight of 本胆烷醇酮 is 290.22 g/mol.
Where can I buy 本胆烷醇酮?
You can request a quote for 本胆烷醇酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 本胆烷醇酮?
Yes, KEHONG BIO provides custom synthesis services for 本胆烷醇酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.