![1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone structure](/static/products/878/878994-13-9.png)
1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
TL;DR: 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CAS 878994-13-9) is a chemical compound with molecular formula C15H13N5O3S and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, 1-{7-methyl-2-[(4-nitrobenzyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone, 6-acetyl-7-methyl-2-[(4-nitrophenyl)methylthio]-8-hydro-1,2,4-triazolo[1,5-a]p yrimidine, 1-(7-METHYL-2-{[(4-NITROPHENYL)METHYL]SULFANYL}-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ETHAN-1-ONE, 1-[7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
| Molecular Formula | C15H13N5O3S |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 2.83582 |
| Topological Polar Surface Area | 103.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.0739 |
| Heavy Atoms | 24 |
| Complexity | 936.18256 |
Chemical Identifiers
| CAS Number | 878994-13-9 |
|---|---|
| SMILES | CC1=C(C=NC2=NC(=NN12)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C |
Product Overview
1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CAS 878994-13-9), with molecular formula C15H13N5O3S and molecular weight 343.07 g/mol. IUPAC: 1-[7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
Property Insights of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
The XLogP value of 2.83582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone. The TPSA of 103.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone. Following Lipinski's Rule of Five, 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has 0 hydrogen bond donor(s) and 7 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 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The CAS number of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is 878994-13-9.
What is the molecular formula of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The molecular formula of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is C15H13N5O3S.
What is the molecular weight of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The molecular weight of 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is 343.07 g/mol.
Where can I buy 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
You can request a quote for 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-methyl-2-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.