F0682-0061
TL;DR: F0682-0061 (CAS 863452-95-3) is a chemical compound with molecular formula C20H17FN6OS and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: F0682-0061, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(4-fluorobenzyl)acetamide, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C20H17FN6OS |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 2.8172 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11685 |
| Heavy Atoms | 29 |
| Complexity | 1116.9966 |
Chemical Identifiers
| CAS Number | 863452-95-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)F)N=N2 |
Product Overview
F0682-0061 (CAS 863452-95-3), with molecular formula C20H17FN6OS and molecular weight 408.12 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of F0682-0061
Property Insights of F0682-0061
The XLogP value of 2.8172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-0061. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0061. Following Lipinski's Rule of Five, F0682-0061 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 F0682-0061?
The CAS number of F0682-0061 is 863452-95-3.
What is the molecular formula of F0682-0061?
The molecular formula of F0682-0061 is C20H17FN6OS.
What is the molecular weight of F0682-0061?
The molecular weight of F0682-0061 is 408.12 g/mol.
Where can I buy F0682-0061?
You can request a quote for F0682-0061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0061?
Yes, KEHONG BIO provides custom synthesis services for F0682-0061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.