9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate
TL;DR: 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate (CAS 69224-79-9) is a chemical compound with molecular formula C25H33ClO6 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Also Known As: Beclomethasone 21-Monopropionate, 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate, 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-propionate, 9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione21-propionate, (9xi)-9-Chloro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate
| Molecular Formula | C25H33ClO6 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.19656 |
| Heavy Atoms | 32 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 69224-79-9 |
|---|---|
| SMILES | CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O |
| InChIKey | OPNPEZLXXKGRTA-OETUORLHSA-N |
Product Overview
9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate (CAS 69224-79-9), with molecular formula C25H33ClO6 and molecular weight 464.20 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate.
Chemical Property Profile of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate
Property Insights of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate
The XLogP value of 3.3 indicates that 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate. Following Lipinski's Rule of Five, 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate has 2 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 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate?
The CAS number of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate is 69224-79-9.
What is the molecular formula of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate?
The molecular formula of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate is C25H33ClO6.
What is the molecular weight of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate?
The molecular weight of 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate is 464.20 g/mol.
Where can I buy 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate?
You can request a quote for 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.