![2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine structure](/static/products/879/879570-57-7.png)
2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
TL;DR: 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine (CAS 879570-57-7) is a chemical compound with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylphenyl)methylsulfanyl]-7-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 2-[(3-methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine, 2-((3-methylbenzyl)thio)-7-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 2-[(3-methylphenyl)methylsulfanyl]-7-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 2-[(3-methylphenyl)methylthio]-7-(3-nitrophenyl)-8-hydro-1,2,4-triazolo[1,5-a] pyrimidine
| Molecular Formula | C19H15N5O2S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 4.30022 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.09464 |
| Heavy Atoms | 27 |
| Complexity | 1141.8702 |
Chemical Identifiers
| CAS Number | 879570-57-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN3C(=CC=NC3=N2)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine (CAS 879570-57-7), with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol. IUPAC: 2-[(3-methylphenyl)methylsulfanyl]-7-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Property Insights of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
The XLogP value of 4.30022 indicates that 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]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 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The CAS number of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is 879570-57-7.
What is the molecular formula of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular formula of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is C19H15N5O2S.
What is the molecular weight of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
The molecular weight of 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine is 377.09 g/mol.
Where can I buy 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
You can request a quote for 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methylbenzyl)sulfanyl]-7-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.