3-Oxopregnan-20-yl acetate
TL;DR: 3-Oxopregnan-20-yl acetate (CAS 210411-36-2) 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.
1-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl acetate
Also Known As: 3-Oxopregnan-20-yl acetate, 1-(10,13-dimethyl-3-oxoperhydrocyclopenta[a]phenanthren-17-yl)ethyl acetate, 1-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl acetate
| Molecular Formula | C23H36O3 |
|---|---|
| Molecular Weight | 360.27 g/mol |
| LogP | 5.3 |
| 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 | 210411-36-2 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)OC(=O)C |
| InChIKey | OCALFWPYWJWRRG-UHFFFAOYSA-N |
Product Overview
3-Oxopregnan-20-yl acetate (CAS 210411-36-2), with molecular formula C23H36O3 and molecular weight 360.27 g/mol. IUPAC: 1-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl acetate.
Chemical Property Profile of 3-Oxopregnan-20-yl acetate
Property Insights of 3-Oxopregnan-20-yl acetate
The XLogP value of 5.3 indicates that 3-Oxopregnan-20-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, 3-Oxopregnan-20-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxopregnan-20-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 3-Oxopregnan-20-yl acetate?
The CAS number of 3-Oxopregnan-20-yl acetate is 210411-36-2.
What is the molecular formula of 3-Oxopregnan-20-yl acetate?
The molecular formula of 3-Oxopregnan-20-yl acetate is C23H36O3.
What is the molecular weight of 3-Oxopregnan-20-yl acetate?
The molecular weight of 3-Oxopregnan-20-yl acetate is 360.27 g/mol.
Where can I buy 3-Oxopregnan-20-yl acetate?
You can request a quote for 3-Oxopregnan-20-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxopregnan-20-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxopregnan-20-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.