3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole
TL;DR: 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole (CAS 91423-03-9) is a chemical compound with molecular formula C16H14FN3 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylphenyl)-3-(3-fluorophenyl)-1H-1,2,4-triazole
Also Known As: 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole, s-Triazole, 3-(o-ethylphenyl)-5-(m-fluorophenyl)-, 3- -5- -1H-1,2,4-triazole, 5-(2-ethylphenyl)-3-(3-fluorophenyl)-1h-1,2,4-triazole, 1H-1,2,4-Triazole, 3-(2-ethylphenyl)-5-(3-fluorophenyl)-
| Molecular Formula | C16H14FN3 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.1172 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 91423-03-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)F |
| InChIKey | ANIGOOQXMDHYSN-UHFFFAOYSA-N |
Product Overview
3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole (CAS 91423-03-9), with molecular formula C16H14FN3 and molecular weight 267.12 g/mol. IUPAC: 5-(2-ethylphenyl)-3-(3-fluorophenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole
Property Insights of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole
The XLogP value of 4.2 indicates that 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole has 1 hydrogen bond donor(s) and 3 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 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole?
The CAS number of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole is 91423-03-9.
What is the molecular formula of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole?
The molecular formula of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole is C16H14FN3.
What is the molecular weight of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole?
The molecular weight of 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole is 267.12 g/mol.
Where can I buy 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole?
You can request a quote for 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(o-Ethylphenyl)-5-(m-fluorophenyl)-s-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.