F0682-0867
TL;DR: F0682-0867 (CAS 863460-49-5) is a chemical compound with molecular formula C18H11F4N5S and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-7-[[3-(trifluoromethyl)phenyl]methylsulfanyl]triazolo[4,5-d]pyrimidine
Also Known As: F0682-0867, 3-(4-fluorophenyl)-7-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-(4-fluorophenyl)-7-((3-(trifluoromethyl)benzyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-(4-fluorophenyl)-7-[[3-(trifluoromethyl)phenyl]methylsulfanyl]triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H11F4N5S |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 4.6607 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.06714 |
| Heavy Atoms | 28 |
| Complexity | 1124.9865 |
Chemical Identifiers
| CAS Number | 863460-49-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F |
Product Overview
F0682-0867 (CAS 863460-49-5), with molecular formula C18H11F4N5S and molecular weight 405.07 g/mol. IUPAC: 3-(4-fluorophenyl)-7-[[3-(trifluoromethyl)phenyl]methylsulfanyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of F0682-0867
Property Insights of F0682-0867
The XLogP value of 4.6607 indicates that F0682-0867 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F0682-0867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0682-0867 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 F0682-0867?
The CAS number of F0682-0867 is 863460-49-5.
What is the molecular formula of F0682-0867?
The molecular formula of F0682-0867 is C18H11F4N5S.
What is the molecular weight of F0682-0867?
The molecular weight of F0682-0867 is 405.07 g/mol.
Where can I buy F0682-0867?
You can request a quote for F0682-0867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0867?
Yes, KEHONG BIO provides custom synthesis services for F0682-0867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.