Clocortolone Caproate
TL;DR: Clocortolone Caproate (CAS 4891-71-8) is a chemical compound with molecular formula C28H38ClFO5 and molecular weight 508.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
Also Known As: Clocortolone Caproate, CLOCORTOLONE HEXANOATE, KST-1A5196, CLOCORTOLONE HEXANOATE [WHO-DD], [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
| Molecular Formula | C28H38ClFO5 |
|---|---|
| Molecular Weight | 508.24 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.23917 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 4891-71-8 |
|---|---|
| SMILES | CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)Cl)O)C)C |
| InChIKey | MMTRTBFDFNRBQO-ANHDKODLSA-N |
Product Overview
Clocortolone Caproate (CAS 4891-71-8), with molecular formula C28H38ClFO5 and molecular weight 508.24 g/mol. IUPAC: [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate.
Chemical Property Profile of Clocortolone Caproate
Property Insights of Clocortolone Caproate
The XLogP value of 5.0 indicates that Clocortolone Caproate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Clocortolone Caproate. Following Lipinski's Rule of Five, Clocortolone Caproate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clocortolone Caproate?
The CAS number of Clocortolone Caproate is 4891-71-8.
What is the molecular formula of Clocortolone Caproate?
The molecular formula of Clocortolone Caproate is C28H38ClFO5.
What is the molecular weight of Clocortolone Caproate?
The molecular weight of Clocortolone Caproate is 508.24 g/mol.
Where can I buy Clocortolone Caproate?
You can request a quote for Clocortolone Caproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clocortolone Caproate?
Yes, KEHONG BIO provides custom synthesis services for Clocortolone Caproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.