Opticortenol
TL;DR: Opticortenol (CAS 52619-02-0) is a chemical compound with molecular formula C27H37FO6 and molecular weight 476.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Also Known As: Opticortenol, KST-1A5526, 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-pivalate, (11, A,16
| Molecular Formula | C27H37FO6 |
|---|---|
| Molecular Weight | 476.26 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.25742 |
| Heavy Atoms | 34 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 52619-02-0 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C |
| InChIKey | XMQRFWOHEPJZPS-WDTKEXHNSA-N |
Product Overview
Opticortenol (CAS 52619-02-0), with molecular formula C27H37FO6 and molecular weight 476.26 g/mol. IUPAC: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Opticortenol
Property Insights of Opticortenol
The XLogP value of 4.2 indicates that Opticortenol 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 Opticortenol. Following Lipinski's Rule of Five, Opticortenol 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 Opticortenol?
The CAS number of Opticortenol is 52619-02-0.
What is the molecular formula of Opticortenol?
The molecular formula of Opticortenol is C27H37FO6.
What is the molecular weight of Opticortenol?
The molecular weight of Opticortenol is 476.26 g/mol.
Where can I buy Opticortenol?
You can request a quote for Opticortenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opticortenol?
Yes, KEHONG BIO provides custom synthesis services for Opticortenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.