F0682-0738
TL;DR: F0682-0738 (CAS 863459-67-0) is a chemical compound with molecular formula C21H20N6OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(2-phenylethyl)acetamide
Also Known As: F0682-0738, N-phenethyl-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide, 2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-(2-phenylethyl)acetamide, 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(2-phenylethyl)acetamide, 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-phenethylacetamide
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 2.96992 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 1111.1964 |
Chemical Identifiers
| CAS Number | 863459-67-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4)N=N2 |
Product Overview
F0682-0738 (CAS 863459-67-0), with molecular formula C21H20N6OS and molecular weight 404.14 g/mol. IUPAC: 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(2-phenylethyl)acetamide.
Chemical Property Profile of F0682-0738
Property Insights of F0682-0738
The XLogP value of 2.96992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-0738. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0738. Following Lipinski's Rule of Five, F0682-0738 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 F0682-0738?
The CAS number of F0682-0738 is 863459-67-0.
What is the molecular formula of F0682-0738?
The molecular formula of F0682-0738 is C21H20N6OS.
What is the molecular weight of F0682-0738?
The molecular weight of F0682-0738 is 404.14 g/mol.
Where can I buy F0682-0738?
You can request a quote for F0682-0738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0738?
Yes, KEHONG BIO provides custom synthesis services for F0682-0738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.