5beta-Pregnan-3alpha-ol-20-one
TL;DR: 5beta-Pregnan-3alpha-ol-20-one (CAS 203805-85-0) 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.
1-(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, Pregnanolone, Isopregnanolone, Epipregnanolone, Eltanolona
| 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 | 203805-85-0 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChIKey | AURFZBICLPNKBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5beta-Pregnan-3alpha-ol-20-one (CAS 203805-85-0), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: 1-(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 5beta-Pregnan-3alpha-ol-20-one
Property Insights of 5beta-Pregnan-3alpha-ol-20-one
The XLogP value of 4.9 indicates that 5beta-Pregnan-3alpha-ol-20-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, 5beta-Pregnan-3alpha-ol-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5beta-Pregnan-3alpha-ol-20-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 5beta-Pregnan-3alpha-ol-20-one?
The CAS number of 5beta-Pregnan-3alpha-ol-20-one is 203805-85-0.
What is the molecular formula of 5beta-Pregnan-3alpha-ol-20-one?
The molecular formula of 5beta-Pregnan-3alpha-ol-20-one is C21H34O2.
What is the molecular weight of 5beta-Pregnan-3alpha-ol-20-one?
The molecular weight of 5beta-Pregnan-3alpha-ol-20-one is 318.26 g/mol.
Where can I buy 5beta-Pregnan-3alpha-ol-20-one?
You can request a quote for 5beta-Pregnan-3alpha-ol-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Pregnan-3alpha-ol-20-one?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Pregnan-3alpha-ol-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.