F0682-1198
TL;DR: F0682-1198 (CAS 863500-79-2) is a chemical compound with molecular formula C18H13ClFN5OS and molecular weight 401.05 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-(4-methoxyphenyl)triazolo[4,5-d]pyrimidine
Also Known As: F0682-1198, 7-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-((2-chloro-6-fluorobenzyl)thio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H13ClFN5OS |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 4.3039 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.05133 |
| Heavy Atoms | 27 |
| Complexity | 1082.5614 |
Chemical Identifiers
| CAS Number | 863500-79-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC4=C(C=CC=C4Cl)F)N=N2 |
Product Overview
F0682-1198 (CAS 863500-79-2), with molecular formula C18H13ClFN5OS and molecular weight 401.05 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidine.
Chemical Property Profile of F0682-1198
Property Insights of F0682-1198
The XLogP value of 4.3039 indicates that F0682-1198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-1198. Following Lipinski's Rule of Five, F0682-1198 has 0 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 F0682-1198?
The CAS number of F0682-1198 is 863500-79-2.
What is the molecular formula of F0682-1198?
The molecular formula of F0682-1198 is C18H13ClFN5OS.
What is the molecular weight of F0682-1198?
The molecular weight of F0682-1198 is 401.05 g/mol.
Where can I buy F0682-1198?
You can request a quote for F0682-1198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-1198?
Yes, KEHONG BIO provides custom synthesis services for F0682-1198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.