3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate
TL;DR: 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate (CAS 23959-73-1) is a chemical compound with molecular formula C23H28O4 and molecular weight 368.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 3,20-dioxopregna-4,9(11),16-trien-21-yl acetate, [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
| Molecular Formula | C23H28O4 |
|---|---|
| Molecular Weight | 368.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.19876 |
| Heavy Atoms | 27 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 23959-73-1 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CCC2C1(CC=C3C2CCC4=CC(=O)CCC43C)C |
| InChIKey | ZBULDJKFUGQBQC-UHFFFAOYSA-N |
Product Overview
3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate (CAS 23959-73-1), with molecular formula C23H28O4 and molecular weight 368.20 g/mol. IUPAC: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate
Property Insights of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate. Following Lipinski's Rule of Five, 3,20-Dioxopregna-4,9(11),16-trien-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-4,9(11),16-trien-21-yl acetate?
The CAS number of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate is 23959-73-1.
What is the molecular formula of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate?
The molecular formula of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate is C23H28O4.
What is the molecular weight of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate?
The molecular weight of 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate is 368.20 g/mol.
Where can I buy 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate?
You can request a quote for 3,20-Dioxopregna-4,9(11),16-trien-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-4,9(11),16-trien-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,20-Dioxopregna-4,9(11),16-trien-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.