3-Hydroxy-20-oxopregn-5-en-21-yl acetate
TL;DR: 3-Hydroxy-20-oxopregn-5-en-21-yl acetate (CAS 566-78-9) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: Artisone acetate, Acetoxanon, Artisone, 21-ACETOXYPREGNENOLONE, Prebediolone acetate
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 566-78-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| InChIKey | MDJRZSNPHZEMJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-20-oxopregn-5-en-21-yl acetate (CAS 566-78-9), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: [2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate
Property Insights of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate
The XLogP value of 4.1 indicates that 3-Hydroxy-20-oxopregn-5-en-21-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-20-oxopregn-5-en-21-yl acetate. Following Lipinski's Rule of Five, 3-Hydroxy-20-oxopregn-5-en-21-yl acetate has 1 hydrogen bond donor(s) and 4 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 3-Hydroxy-20-oxopregn-5-en-21-yl acetate?
The CAS number of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate is 566-78-9.
What is the molecular formula of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate?
The molecular formula of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate is C23H34O4.
What is the molecular weight of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate?
The molecular weight of 3-Hydroxy-20-oxopregn-5-en-21-yl acetate is 374.25 g/mol.
Where can I buy 3-Hydroxy-20-oxopregn-5-en-21-yl acetate?
You can request a quote for 3-Hydroxy-20-oxopregn-5-en-21-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-Hydroxy-20-oxopregn-5-en-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-20-oxopregn-5-en-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.