9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate
TL;DR: 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate (CAS 382-66-1) is a chemical compound with molecular formula C22H29FO7S and molecular weight 456.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
Also Known As: EINECS 206-844-8, 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-, 21-methanesulfonate, 9-Fluor-11, A,17-dihydroxy-21-methansulfonyloxy-pregna-1,4-dien-3,20-dion
| Molecular Formula | C22H29FO7S |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 1.6336 |
| Topological Polar Surface Area | 117.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1618 |
| Heavy Atoms | 31 |
| Complexity | 1003.3296 |
Chemical Identifiers
| CAS Number | 382-66-1 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1CC[C@@]2(C(=O)COS(=O)(=O)C)O)CCC4=CC(=O)C=C[C@@]43C)F)O |
Product Overview
9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate (CAS 382-66-1), with molecular formula C22H29FO7S and molecular weight 456.16 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate.
Chemical Property Profile of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate
Property Insights of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate
The XLogP value of 1.6336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate. The TPSA of 117.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate. Following Lipinski's Rule of Five, 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate has 2 hydrogen bond donor(s) and 7 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-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate?
The CAS number of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate is 382-66-1.
What is the molecular formula of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate?
The molecular formula of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate is C22H29FO7S.
What is the molecular weight of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate?
The molecular weight of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate is 456.16 g/mol.
Where can I buy 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate?
You can request a quote for 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.