5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole
TL;DR: 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole (CAS 713-57-5) is a chemical compound with molecular formula C18H17N3O and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole
Also Known As: 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole, s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-tolyl)-, 5-(m-Allyloxyphenyl)-3-(o-tolyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-(2-methylphenyl)-5-(3-(2-propenyloxy)phenyl)-, 5-(2-methylphenyl)-3-[3-(prop-2-en-1-yloxy)phenyl]-1h-1,2,4-triazole
| Molecular Formula | C18H17N3O |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.13718 |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 713-57-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OCC=C |
| InChIKey | KXUAAPPKABXDAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole (CAS 713-57-5), with molecular formula C18H17N3O and molecular weight 291.14 g/mol. IUPAC: 5-(2-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole
Property Insights of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole
The XLogP value of 4.3 indicates that 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-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 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole?
The CAS number of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole is 713-57-5.
What is the molecular formula of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole?
The molecular formula of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole is C18H17N3O.
What is the molecular weight of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole?
The molecular weight of 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole is 291.14 g/mol.
Where can I buy 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole?
You can request a quote for 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(m-(Allyloxy)phenyl)-3-(o-tolyl)-s-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.