异孕烷醇酮
TL;DR: 异孕烷醇酮 (CAS 516-55-2) is a chemical compound with molecular formula C21H34O2 and molecular weight 318.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异孕烷醇酮
1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Isopregnanolone, Allopregnanolone, Sepranolone, Epiallopregnanolone, Alloepipregnanolone
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.2559 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
| Melting Point | 194.5 °C |
Chemical Identifiers
| CAS Number | 516-55-2 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | AURFZBICLPNKBZ-FZCSVUEKSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异孕烷醇酮 (CAS 516-55-2), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 异孕烷醇酮
Property Insights of 异孕烷醇酮
The XLogP value of 4.9 indicates that 异孕烷醇酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 异孕烷醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异孕烷醇酮 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 异孕烷醇酮?
The CAS number of 异孕烷醇酮 is 516-55-2.
What is the molecular formula of 异孕烷醇酮?
The molecular formula of 异孕烷醇酮 is C21H34O2.
What is the molecular weight of 异孕烷醇酮?
The molecular weight of 异孕烷醇酮 is 318.26 g/mol.
Where can I buy 异孕烷醇酮?
You can request a quote for 异孕烷醇酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异孕烷醇酮?
Yes, KEHONG BIO provides custom synthesis services for 异孕烷醇酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.