20-Oxopregnan-3-yl acetate
TL;DR: 20-Oxopregnan-3-yl acetate (CAS 1491-77-6) 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.
(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: 20-Oxopregnan-3-yl acetate, 3-alfa-Acetyloxypregnan-20-one, 5.beta.-Pregnan-20-one, acetate, Pregnan-3.beta.-ol-20-one acetate, 3beta-Acetoxy-5alpha-pregnan-20-one
| 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 | 1491-77-6 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | GFHOQCXDABGYAL-UHFFFAOYSA-N |
Product Overview
20-Oxopregnan-3-yl acetate (CAS 1491-77-6), with molecular formula C23H36O3 and molecular weight 360.27 g/mol. IUPAC: (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 20-Oxopregnan-3-yl acetate
Property Insights of 20-Oxopregnan-3-yl acetate
The XLogP value of 5.4 indicates that 20-Oxopregnan-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 20-Oxopregnan-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-Oxopregnan-3-yl acetate 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 20-Oxopregnan-3-yl acetate?
The CAS number of 20-Oxopregnan-3-yl acetate is 1491-77-6.
What is the molecular formula of 20-Oxopregnan-3-yl acetate?
The molecular formula of 20-Oxopregnan-3-yl acetate is C23H36O3.
What is the molecular weight of 20-Oxopregnan-3-yl acetate?
The molecular weight of 20-Oxopregnan-3-yl acetate is 360.27 g/mol.
Where can I buy 20-Oxopregnan-3-yl acetate?
You can request a quote for 20-Oxopregnan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Oxopregnan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Oxopregnan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.