F2568-0054
TL;DR: F2568-0054 (CAS 896312-71-3) is a chemical compound with molecular formula C16H12FN3O4S and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3-fluorobenzoate
Also Known As: F2568-0054, 6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 3-fluorobenzoate, [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3-fluorobenzoate, 6-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-fluorobenzoate
| Molecular Formula | C16H12FN3O4S |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 2.4189 |
| Topological Polar Surface Area | 87.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.05325 |
| Heavy Atoms | 25 |
| Complexity | 969.76373 |
Chemical Identifiers
| CAS Number | 896312-71-3 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC=C3)F |
Product Overview
F2568-0054 (CAS 896312-71-3), with molecular formula C16H12FN3O4S and molecular weight 361.05 g/mol. IUPAC: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3-fluorobenzoate.
Chemical Property Profile of F2568-0054
Property Insights of F2568-0054
The XLogP value of 2.4189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2568-0054. The TPSA of 87.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F2568-0054. Following Lipinski's Rule of Five, F2568-0054 has 0 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 F2568-0054?
The CAS number of F2568-0054 is 896312-71-3.
What is the molecular formula of F2568-0054?
The molecular formula of F2568-0054 is C16H12FN3O4S.
What is the molecular weight of F2568-0054?
The molecular weight of F2568-0054 is 361.05 g/mol.
Where can I buy F2568-0054?
You can request a quote for F2568-0054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2568-0054?
Yes, KEHONG BIO provides custom synthesis services for F2568-0054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.