F0682-0414
TL;DR: F0682-0414 (CAS 863458-95-1) is a chemical compound with molecular formula C18H12ClF2N5S and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
Also Known As: F0682-0414, 7-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-((2-chloro-6-fluorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H12ClF2N5S |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.4935 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.047 |
| Heavy Atoms | 27 |
| Complexity | 1097.8114 |
Chemical Identifiers
| CAS Number | 863458-95-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)SCC4=C(C=CC=C4Cl)F)N=N2)F |
Product Overview
F0682-0414 (CAS 863458-95-1), with molecular formula C18H12ClF2N5S and molecular weight 403.05 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of F0682-0414
Property Insights of F0682-0414
The XLogP value of 4.4935 indicates that F0682-0414 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F0682-0414 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0682-0414 has 0 hydrogen bond donor(s) and 5 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 F0682-0414?
The CAS number of F0682-0414 is 863458-95-1.
What is the molecular formula of F0682-0414?
The molecular formula of F0682-0414 is C18H12ClF2N5S.
What is the molecular weight of F0682-0414?
The molecular weight of F0682-0414 is 403.05 g/mol.
Where can I buy F0682-0414?
You can request a quote for F0682-0414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0414?
Yes, KEHONG BIO provides custom synthesis services for F0682-0414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.