![3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/924/924779-47-5.png)
3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 924779-47-5) is a chemical compound with molecular formula C17H13FN6S and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethylsulfanyl)triazolo[4,5-d]pyrimidine
Also Known As: 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, F0682-0313, 3-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethylsulfanyl)triazolo[4,5-d]pyrimidine, 3-[({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)methyl]pyridine
| Molecular Formula | C17H13FN6S |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 3.096 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.09064 |
| Heavy Atoms | 25 |
| Complexity | 987.1343 |
Chemical Identifiers
| CAS Number | 924779-47-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 924779-47-5), with molecular formula C17H13FN6S and molecular weight 352.09 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethylsulfanyl)triazolo[4,5-d]pyrimidine.
Chemical Property Profile of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 3.096 indicates that 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine. Following Lipinski's Rule of Five, 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine 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 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 924779-47-5.
What is the molecular formula of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is C17H13FN6S.
What is the molecular weight of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 352.09 g/mol.
Where can I buy 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-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 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorobenzyl)-7-((pyridin-3-ylmethyl)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.