F0682-0845
TL;DR: F0682-0845 (CAS 863460-29-1) is a chemical compound with molecular formula C19H14F2N6OS and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: F0682-0845, 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide, N-(4-fluorobenzyl)-2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide, N-[(4-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
| Molecular Formula | C19H14F2N6OS |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 2.8972 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0918 |
| Heavy Atoms | 29 |
| Complexity | 1147.8031 |
Chemical Identifiers
| CAS Number | 863460-29-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F)F |
Product Overview
F0682-0845 (CAS 863460-29-1), with molecular formula C19H14F2N6OS and molecular weight 412.09 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of F0682-0845
Property Insights of F0682-0845
The XLogP value of 2.8972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-0845. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0845. Following Lipinski's Rule of Five, F0682-0845 has 1 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 F0682-0845?
The CAS number of F0682-0845 is 863460-29-1.
What is the molecular formula of F0682-0845?
The molecular formula of F0682-0845 is C19H14F2N6OS.
What is the molecular weight of F0682-0845?
The molecular weight of F0682-0845 is 412.09 g/mol.
Where can I buy F0682-0845?
You can request a quote for F0682-0845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0845?
Yes, KEHONG BIO provides custom synthesis services for F0682-0845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.