3,20-dioxopregna-1,4-dien-21-yl acetate
TL;DR: 3,20-dioxopregna-1,4-dien-21-yl acetate (CAS 13648-01-6) is a chemical compound with molecular formula C23H30O4 and molecular weight 370.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 3,20-dioxopregna-1,4-dien-21-yl acetate, Acetic acid 3,20-dioxopregna-1,4-dien-21-yl ester, Pregna-1,4-diene-3,20-dione,21-(acetyloxy)- (9CI), [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.21442 |
| Heavy Atoms | 27 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 13648-01-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C |
| InChIKey | NJCJHGJZWVIYPY-ACXQXYJUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,20-dioxopregna-1,4-dien-21-yl acetate (CAS 13648-01-6), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 3,20-dioxopregna-1,4-dien-21-yl acetate
Property Insights of 3,20-dioxopregna-1,4-dien-21-yl acetate
The XLogP value of 3.3 indicates that 3,20-dioxopregna-1,4-dien-21-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,20-dioxopregna-1,4-dien-21-yl acetate. Following Lipinski's Rule of Five, 3,20-dioxopregna-1,4-dien-21-yl acetate has 0 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 3,20-dioxopregna-1,4-dien-21-yl acetate?
The CAS number of 3,20-dioxopregna-1,4-dien-21-yl acetate is 13648-01-6.
What is the molecular formula of 3,20-dioxopregna-1,4-dien-21-yl acetate?
The molecular formula of 3,20-dioxopregna-1,4-dien-21-yl acetate is C23H30O4.
What is the molecular weight of 3,20-dioxopregna-1,4-dien-21-yl acetate?
The molecular weight of 3,20-dioxopregna-1,4-dien-21-yl acetate is 370.21 g/mol.
Where can I buy 3,20-dioxopregna-1,4-dien-21-yl acetate?
You can request a quote for 3,20-dioxopregna-1,4-dien-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 3,20-dioxopregna-1,4-dien-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,20-dioxopregna-1,4-dien-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.