3beta-Acetoxy-5alpha-pregnan-20-one
TL;DR: 3beta-Acetoxy-5alpha-pregnan-20-one (CAS 906-83-2) is a chemical compound with molecular formula C23H36O3 and molecular weight 360.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: A-Pregnan-3, Allopregnanolone acetate, 3beta-Acetoxy-5alpha-pregnan-20-one, ALLOPREGNANOLONEACETATE, 20-Oxopregnan-3-yl acetate #
| Molecular Formula | C23H36O3 |
|---|---|
| Molecular Weight | 360.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.26645 |
| Heavy Atoms | 26 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 906-83-2 |
|---|---|
| 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)OC(=O)C)C)C |
| InChIKey | GFHOQCXDABGYAL-POBGKJHXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Acetoxy-5alpha-pregnan-20-one (CAS 906-83-2), with molecular formula C23H36O3 and molecular weight 360.27 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3beta-Acetoxy-5alpha-pregnan-20-one
Property Insights of 3beta-Acetoxy-5alpha-pregnan-20-one
The XLogP value of 5.4 indicates that 3beta-Acetoxy-5alpha-pregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3beta-Acetoxy-5alpha-pregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Acetoxy-5alpha-pregnan-20-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Acetoxy-5alpha-pregnan-20-one?
The CAS number of 3beta-Acetoxy-5alpha-pregnan-20-one is 906-83-2.
What is the molecular formula of 3beta-Acetoxy-5alpha-pregnan-20-one?
The molecular formula of 3beta-Acetoxy-5alpha-pregnan-20-one is C23H36O3.
What is the molecular weight of 3beta-Acetoxy-5alpha-pregnan-20-one?
The molecular weight of 3beta-Acetoxy-5alpha-pregnan-20-one is 360.27 g/mol.
Where can I buy 3beta-Acetoxy-5alpha-pregnan-20-one?
You can request a quote for 3beta-Acetoxy-5alpha-pregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Acetoxy-5alpha-pregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Acetoxy-5alpha-pregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.