F0682-0408
TL;DR: F0682-0408 (CAS 863458-92-8) is a chemical compound with molecular formula C18H13F2N5S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methyl]-7-[(4-fluorophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
Also Known As: F0682-0408, 3-[(2-fluorophenyl)methyl]-7-{[(4-fluorophenyl)methyl]sulfanyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-(2-fluorobenzyl)-7-((4-fluorobenzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-[(2-fluorophenyl)methyl]-7-[(4-fluorophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H13F2N5S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.8401 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08597 |
| Heavy Atoms | 26 |
| Complexity | 1049.0824 |
Chemical Identifiers
| CAS Number | 863458-92-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)SCC4=CC=C(C=C4)F)N=N2)F |
Product Overview
F0682-0408 (CAS 863458-92-8), with molecular formula C18H13F2N5S and molecular weight 369.09 g/mol. IUPAC: 3-[(2-fluorophenyl)methyl]-7-[(4-fluorophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of F0682-0408
Property Insights of F0682-0408
The XLogP value of 3.8401 indicates that F0682-0408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F0682-0408 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0682-0408 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 F0682-0408?
The CAS number of F0682-0408 is 863458-92-8.
What is the molecular formula of F0682-0408?
The molecular formula of F0682-0408 is C18H13F2N5S.
What is the molecular weight of F0682-0408?
The molecular weight of F0682-0408 is 369.09 g/mol.
Where can I buy F0682-0408?
You can request a quote for F0682-0408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0408?
Yes, KEHONG BIO provides custom synthesis services for F0682-0408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.