F0682-0696
TL;DR: F0682-0696 (CAS 863459-28-3) is a chemical compound with molecular formula C19H15FN6OS and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: F0682-0696, N-(2-fluorophenyl)-2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamide, N-(2-fluorophenyl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide, N-(2-fluorophenyl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
| Molecular Formula | C19H15FN6OS |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.38882 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1012 |
| Heavy Atoms | 28 |
| Complexity | 1144.8451 |
Chemical Identifiers
| CAS Number | 863459-28-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NC4=CC=CC=C4F)N=N2 |
Product Overview
F0682-0696 (CAS 863459-28-3), with molecular formula C19H15FN6OS and molecular weight 394.10 g/mol. IUPAC: N-(2-fluorophenyl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of F0682-0696
Property Insights of F0682-0696
The XLogP value of 3.38882 indicates that F0682-0696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0696. Following Lipinski's Rule of Five, F0682-0696 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 F0682-0696?
The CAS number of F0682-0696 is 863459-28-3.
What is the molecular formula of F0682-0696?
The molecular formula of F0682-0696 is C19H15FN6OS.
What is the molecular weight of F0682-0696?
The molecular weight of F0682-0696 is 394.10 g/mol.
Where can I buy F0682-0696?
You can request a quote for F0682-0696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0696?
Yes, KEHONG BIO provides custom synthesis services for F0682-0696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.