1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-
TL;DR: 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- (CAS 85303-92-0) is a chemical compound with molecular formula C16H15N3 and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-, 5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole,3-(2,5-dimethylphenyl)-5-phenyl, 1H-1,2,4-Triazole,5-(2,5-dimethylphenyl)-3-phenyl-
| Molecular Formula | C16H15N3 |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.1266 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 85303-92-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NC(=NN2)C3=CC=CC=C3 |
| InChIKey | ARXYGSGAEPXPFF-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- (CAS 85303-92-0), with molecular formula C16H15N3 and molecular weight 249.13 g/mol. IUPAC: 5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-
Property Insights of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-
The XLogP value of 4.0 indicates that 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- has 1 hydrogen bond donor(s) and 2 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, 3-(2,5-dimethylphenyl)-5-phenyl-?
The CAS number of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- is 85303-92-0.
What is the molecular formula of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-?
The molecular formula of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- is C16H15N3.
What is the molecular weight of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-?
The molecular weight of 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- is 249.13 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl-?
You can request a quote for 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-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, 3-(2,5-dimethylphenyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-(2,5-dimethylphenyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.