KST-1A4439
TL;DR: KST-1A4439 (CAS 3834-28-4) is a chemical compound with molecular formula C21H27FO5 and molecular weight 378.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,3,11-trihydroxy-2,10a,12a-trimethyl-3,4,4a,4b,5,6,11,12-octahydrochrysene-1,8-dione
Also Known As: KST-1A4439, (2r,3r,4as,4bs,10as,10br,11s,12as)-10b-fluoro-2,3,11-trihydroxy-2,10a,12a-trimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydrochrysene-1,8(2h,4bh)-dione, (2R,3R,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,3,11-trihydr, (2R,3R,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,3,11-trihydroxy-2,10a,12a-trimethyl-3,4,4a,4b,5,6,11,12-octahydrochrysene-1,8-dione
| Molecular Formula | C21H27FO5 |
|---|---|
| Molecular Weight | 378.18 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.18427 |
| Heavy Atoms | 27 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 3834-28-4 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@](C2=O)(C)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O |
| InChIKey | SPKUCNSUBYLCEE-WTNVDEMLSA-N |
Product Overview
KST-1A4439 (CAS 3834-28-4), with molecular formula C21H27FO5 and molecular weight 378.18 g/mol. IUPAC: (2R,3R,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,3,11-trihydroxy-2,10a,12a-trimethyl-3,4,4a,4b,5,6,11,12-octahydrochrysene-1,8-dione.
Chemical Property Profile of KST-1A4439
Property Insights of KST-1A4439
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A4439. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4439. Following Lipinski's Rule of Five, KST-1A4439 has 3 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-1A4439?
The CAS number of KST-1A4439 is 3834-28-4.
What is the molecular formula of KST-1A4439?
The molecular formula of KST-1A4439 is C21H27FO5.
What is the molecular weight of KST-1A4439?
The molecular weight of KST-1A4439 is 378.18 g/mol.
Where can I buy KST-1A4439?
You can request a quote for KST-1A4439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4439?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.