17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate
TL;DR: 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate (CAS 6982-10-1) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate, 4,5-Dihydrocortisone, 21-acetate, A-Dihydrocortisone Acetate 21-Acetate, [2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate, 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 6982-10-1 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(=O)C4)C)C)O |
| InChIKey | AZCNJEFLSOQGST-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate (CAS 6982-10-1), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: [2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate
Property Insights of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate. Following Lipinski's Rule of Five, 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate has 1 hydrogen bond donor(s) and 6 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 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate?
The CAS number of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate is 6982-10-1.
What is the molecular formula of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate?
The molecular formula of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate is C23H32O6.
What is the molecular weight of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate?
The molecular weight of 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate is 404.22 g/mol.
Where can I buy 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate?
You can request a quote for 17-Hydroxy-3,11,20-trioxopregnan-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 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3,11,20-trioxopregnan-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.