F0682-0396
TL;DR: F0682-0396 (CAS 863458-83-7) 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.
N-benzyl-2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
Also Known As: F0682-0396, N-benzyl-2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide, N-benzyl-2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide, N-benzyl-2-({3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)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 | 1134.2466 |
Chemical Identifiers
| CAS Number | 863458-83-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4F |
Product Overview
F0682-0396 (CAS 863458-83-7), with molecular formula C20H17FN6OS and molecular weight 408.12 g/mol. IUPAC: N-benzyl-2-[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide.
Chemical Property Profile of F0682-0396
Property Insights of F0682-0396
The XLogP value of 2.8172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-0396. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0396. Following Lipinski's Rule of Five, F0682-0396 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 F0682-0396?
The CAS number of F0682-0396 is 863458-83-7.
What is the molecular formula of F0682-0396?
The molecular formula of F0682-0396 is C20H17FN6OS.
What is the molecular weight of F0682-0396?
The molecular weight of F0682-0396 is 408.12 g/mol.
Where can I buy F0682-0396?
You can request a quote for F0682-0396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0396?
Yes, KEHONG BIO provides custom synthesis services for F0682-0396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.