![7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/863/863460-38-2.png)
7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863460-38-2) is a chemical compound with molecular formula C17H12FN5S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzylsulfanyl-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidine
Also Known As: 7-benzylsulfanyl-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidine, 7-(benzylsulfanyl)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, F0682-0854
| Molecular Formula | C17H12FN5S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 3.6419 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07974 |
| Heavy Atoms | 24 |
| Complexity | 969.37665 |
Chemical Identifiers
| CAS Number | 863460-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F |
Product Overview
7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863460-38-2), with molecular formula C17H12FN5S and molecular weight 337.08 g/mol. IUPAC: 7-benzylsulfanyl-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidine.
Chemical Property Profile of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 3.6419 indicates that 7-(benzylthio)-3-(4-fluorophenyl)-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-(benzylthio)-3-(4-fluorophenyl)-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-(benzylthio)-3-(4-fluorophenyl)-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-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 863460-38-2.
What is the molecular formula of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is C17H12FN5S.
What is the molecular weight of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 337.08 g/mol.
Where can I buy 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 7-(benzylthio)-3-(4-fluorophenyl)-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-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-(benzylthio)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.