17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
TL;DR: 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate (CAS 3751-02-8) 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-[(8S,9S,10S,13S,14S,17R)-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: 4,5-Dihydrocortisone, 21-acetate, 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate, Pregnane-3,11,20-trione,21-(acetyloxy)-17-hydroxy-, (5a)- (9CI), [2-[(8S,9S,10S,13S,14S,17R)-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, EINECS 223-152-1
| 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 | 3751-02-8 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)C)O |
| InChIKey | AZCNJEFLSOQGST-BPSNTZLWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate (CAS 3751-02-8), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: [2-[(8S,9S,10S,13S,14S,17R)-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 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
Property Insights of 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate. Following Lipinski's Rule of Five, 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-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 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate?
The CAS number of 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate is 3751-02-8.
What is the molecular formula of 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate?
The molecular formula of 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate is C23H32O6.
What is the molecular weight of 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate?
The molecular weight of 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate is 404.22 g/mol.
Where can I buy 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate?
You can request a quote for 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.