![7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/863/863458-96-2.png)
7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863458-96-2) is a chemical compound with molecular formula C18H13ClFN5S and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
Also Known As: F0682-0416, 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-{[(2-chlorophenyl)methyl]sulfanyl}-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-[(2-chlorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine
| Molecular Formula | C18H13ClFN5S |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 4.3544 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.05643 |
| Heavy Atoms | 26 |
| Complexity | 1068.3324 |
Chemical Identifiers
| CAS Number | 863458-96-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)SCC4=CC=CC=C4Cl)N=N2)F |
Product Overview
7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863458-96-2), with molecular formula C18H13ClFN5S and molecular weight 385.06 g/mol. IUPAC: 7-[(2-chlorophenyl)methylsulfanyl]-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 4.3544 indicates that 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine 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 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 863458-96-2.
What is the molecular formula of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is C18H13ClFN5S.
What is the molecular weight of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 385.06 g/mol.
Where can I buy 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-((2-chlorobenzyl)thio)-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.