5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole
TL;DR: 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole (CAS 91423-75-5) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5-(2-ethylphenyl)-1H-1,2,4-triazole
Also Known As: 3-(o-Ethylphenyl)-5-piperonyl-s-triazole, 3-5-piperonyl-1h-1,2,4-triazole, s-Triazole, 3-(o-ethylphenyl)-5-piperonyl-, 3- -5-piperonyl-1H-1,2,4-triazole, 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 91423-75-5 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | ANQNTFMVOLLZJK-UHFFFAOYSA-N |
Product Overview
5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole (CAS 91423-75-5), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5-(2-ethylphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole
Property Insights of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole
The XLogP value of 3.9 indicates that 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole has 1 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 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole is 91423-75-5.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole is C17H15N3O2.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole is 293.12 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-3-(2-ethylphenyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.