5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole
TL;DR: 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole (CAS 51959-34-3) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-4-methyl-1-phenyltriazole
Also Known As: 5-ethyl-4-methyl-1-phenyltriazole, 5-ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole, 1H-1,2,3-Triazole,5-ethyl-4-methyl-1-phenyl-
| Molecular Formula | C11H13N3 |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.11095 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 51959-34-3 |
|---|---|
| SMILES | CCC1=C(N=NN1C2=CC=CC=C2)C |
| InChIKey | VFRTYRKMVWZADW-UHFFFAOYSA-N |
Product Overview
5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole (CAS 51959-34-3), with molecular formula C11H13N3 and molecular weight 187.11 g/mol. IUPAC: 5-ethyl-4-methyl-1-phenyltriazole.
Chemical Property Profile of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole
Property Insights of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole has 0 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 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole?
The CAS number of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole is 51959-34-3.
What is the molecular formula of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole?
The molecular formula of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole is C11H13N3.
What is the molecular weight of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole?
The molecular weight of 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole is 187.11 g/mol.
Where can I buy 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole?
You can request a quote for 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-4-methyl-1-phenyl-1h-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.