![7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/863/863500-72-5.png)
7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863500-72-5) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzylsulfanyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidine
Also Known As: 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-benzylsulfanyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidine, 7-(benzylsulfanyl)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-(benzylthio)-3-(p-methoxyphenyl)-1,2,3,4,6-pentaaza-3H-indene
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.5114 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 985.46265 |
Chemical Identifiers
| CAS Number | 863500-72-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC4=CC=CC=C4)N=N2 |
Product Overview
7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 863500-72-5), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: 7-benzylsulfanyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidine.
Chemical Property Profile of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 3.5114 indicates that 7-(benzylthio)-3-(4-methoxyphenyl)-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 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine. Following Lipinski's Rule of Five, 7-(benzylthio)-3-(4-methoxyphenyl)-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 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 863500-72-5.
What is the molecular formula of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is C18H15N5OS.
What is the molecular weight of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine is 349.10 g/mol.
Where can I buy 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 7-(benzylthio)-3-(4-methoxyphenyl)-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-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-(benzylthio)-3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.