表孕烷醇酮
TL;DR: 表孕烷醇酮 (CAS 128-21-2) 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.
表孕烷醇酮
1-[(3S,5S,8R,9S,10S,13S,14S,17R)-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: Allopregnanolone, 5alpha(17alpha)-Pregnan-3beta-ol-20-one, J1.617.246D, (17alpha)-3beta-Hydroxy-5alpha-pregnane-20-one, 1-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
| 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 |
Chemical Identifiers
| CAS Number | 128-21-2 |
|---|---|
| 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-UAMJIQGISA-N |
Product Overview
表孕烷醇酮 (CAS 128-21-2), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: 1-[(3S,5S,8R,9S,10S,13S,14S,17R)-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 表孕烷醇酮
Property Insights of 表孕烷醇酮
The XLogP value of 4.9 indicates that 表孕烷醇酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 表孕烷醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 表孕烷醇酮 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 表孕烷醇酮?
The CAS number of 表孕烷醇酮 is 128-21-2.
What is the molecular formula of 表孕烷醇酮?
The molecular formula of 表孕烷醇酮 is C21H34O2.
What is the molecular weight of 表孕烷醇酮?
The molecular weight of 表孕烷醇酮 is 318.26 g/mol.
Where can I buy 表孕烷醇酮?
You can request a quote for 表孕烷醇酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 表孕烷醇酮?
Yes, KEHONG BIO provides custom synthesis services for 表孕烷醇酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.