KST-1A4662
TL;DR: KST-1A4662 (CAS 40745-37-7) is a chemical compound with molecular formula C22H28F2O4 and molecular weight 394.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(2-fluoroacetyl)-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: KST-1A4662, (6, A,11, A)-9,21-difluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione, 1-[4-(2-methylbutan-2-yl)phenoxy]butan-2-yl prop-2-ynyl sulf
| Molecular Formula | C22H28F2O4 |
|---|---|
| Molecular Weight | 394.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.19556 |
| Heavy Atoms | 28 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 40745-37-7 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)CF)O |
| InChIKey | HVWBUMMATJTVNI-MJWISQFFSA-N |
Product Overview
KST-1A4662 (CAS 40745-37-7), with molecular formula C22H28F2O4 and molecular weight 394.20 g/mol. IUPAC: (6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(2-fluoroacetyl)-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of KST-1A4662
Property Insights of KST-1A4662
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A4662. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4662. Following Lipinski's Rule of Five, KST-1A4662 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 KST-1A4662?
The CAS number of KST-1A4662 is 40745-37-7.
What is the molecular formula of KST-1A4662?
The molecular formula of KST-1A4662 is C22H28F2O4.
What is the molecular weight of KST-1A4662?
The molecular weight of KST-1A4662 is 394.20 g/mol.
Where can I buy KST-1A4662?
You can request a quote for KST-1A4662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4662?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.