1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
TL;DR: 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- (CAS 115591-24-7) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-, 5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazole, J2.191.583A, AA-516/12432306, 1-{4-nitrophenyl}-5-methyl-3-phenyl-1H-1,2,4-triazole
| Molecular Formula | C15H12N4O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 3.15092 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.09604 |
| Heavy Atoms | 21 |
| Complexity | 779.1931 |
Chemical Identifiers
| CAS Number | 115591-24-7 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- (CAS 115591-24-7), with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol. IUPAC: 5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
Property Insights of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
The XLogP value of 3.15092 indicates that 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- has 0 hydrogen bond donor(s) and 4 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 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-?
The CAS number of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- is 115591-24-7.
What is the molecular formula of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-?
The molecular formula of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- is C15H12N4O2.
What is the molecular weight of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-?
The molecular weight of 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- is 280.10 g/mol.
Where can I buy 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-?
You can request a quote for 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.