4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate
TL;DR: 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate (CAS 28444-83-9) is a chemical compound with molecular formula C23H29ClO6 and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17R)-4-chloro-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 4-chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate, [2-[(8S,9S,10R,13S,14S,17R)-4-chloro-17-hydroxy-10,13-dimeth, Pregn-4-ene-3,11,20-trione,4-chloro-17,21-dihydroxy-, 21-acetate (8CI), [2-[(8S,9S,10R,13S,14S,17R)-4-chloro-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C23H29ClO6 |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.16525 |
| Heavy Atoms | 30 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 28444-83-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C)O |
| InChIKey | GBPFFVNVGOEUTP-FHEXCKPQSA-N |
Product Overview
4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate (CAS 28444-83-9), with molecular formula C23H29ClO6 and molecular weight 436.17 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-4-chloro-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate
Property Insights of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate. Following Lipinski's Rule of Five, 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-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 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate?
The CAS number of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate is 28444-83-9.
What is the molecular formula of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate?
The molecular formula of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate is C23H29ClO6.
What is the molecular weight of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate?
The molecular weight of 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate is 436.17 g/mol.
Where can I buy 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate?
You can request a quote for 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-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 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.