5alpha-Pregnan-20alpha-ol-3-one
TL;DR: 5alpha-Pregnan-20alpha-ol-3-one (CAS 516-59-6) 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.
(5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 20-Ahapo, Allopregnan-20alpha-ol-3-one, Allopregnan-20beta-ol-3-one, 5alpha-Pregnan-20alpha-ol-3-one, 5a-Pregnane-3-one-20a-ol
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 4.5952 |
| 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 | 498.07004 |
Chemical Identifiers
| CAS Number | 516-59-6 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O |
Product Overview
5alpha-Pregnan-20alpha-ol-3-one (CAS 516-59-6), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 5alpha-Pregnan-20alpha-ol-3-one
Property Insights of 5alpha-Pregnan-20alpha-ol-3-one
The XLogP value of 4.5952 indicates that 5alpha-Pregnan-20alpha-ol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5alpha-Pregnan-20alpha-ol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha-Pregnan-20alpha-ol-3-one 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 5alpha-Pregnan-20alpha-ol-3-one?
The CAS number of 5alpha-Pregnan-20alpha-ol-3-one is 516-59-6.
What is the molecular formula of 5alpha-Pregnan-20alpha-ol-3-one?
The molecular formula of 5alpha-Pregnan-20alpha-ol-3-one is C21H34O2.
What is the molecular weight of 5alpha-Pregnan-20alpha-ol-3-one?
The molecular weight of 5alpha-Pregnan-20alpha-ol-3-one is 318.26 g/mol.
Where can I buy 5alpha-Pregnan-20alpha-ol-3-one?
You can request a quote for 5alpha-Pregnan-20alpha-ol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha-Pregnan-20alpha-ol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Pregnan-20alpha-ol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.