KST-1A5579
TL;DR: KST-1A5579 (CAS 5399-22-4) is a chemical compound with molecular formula C23H27ClF2O6 and molecular weight 472.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloro-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A5579, 16A-CHLORO-6A,9A-DIFLUOROPREDNISOLONE-21-ACETATE, (6, A,8xi,11, A,14xi,16
| Molecular Formula | C23H27ClF2O6 |
|---|---|
| Molecular Weight | 472.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.14642 |
| Heavy Atoms | 32 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 5399-22-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3(C2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)Cl)O |
| InChIKey | HKCOVWKPDSUVTL-AVLAGDDTSA-N |
Product Overview
KST-1A5579 (CAS 5399-22-4), with molecular formula C23H27ClF2O6 and molecular weight 472.15 g/mol. IUPAC: [2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloro-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of KST-1A5579
Property Insights of KST-1A5579
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A5579. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A5579. Following Lipinski's Rule of Five, KST-1A5579 has 2 hydrogen bond donor(s) and 8 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 KST-1A5579?
The CAS number of KST-1A5579 is 5399-22-4.
What is the molecular formula of KST-1A5579?
The molecular formula of KST-1A5579 is C23H27ClF2O6.
What is the molecular weight of KST-1A5579?
The molecular weight of KST-1A5579 is 472.15 g/mol.
Where can I buy KST-1A5579?
You can request a quote for KST-1A5579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A5579?
Yes, KEHONG BIO provides custom synthesis services for KST-1A5579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.