s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-
TL;DR: s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- (CAS 85303-84-0) is a chemical compound with molecular formula C18H19N3 and molecular weight 277.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dimethylphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole
Also Known As: s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-, 3-(o-Ethylphenyl)-5-(2,3-xylyl)-s-triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)s-triazole, 1H-1,2,4-Triazole, 3-(2,3-dimethylphenyl)-5-(2-ethylphenyl)-, 3-(2,3-dimethylphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole
| Molecular Formula | C18H19N3 |
|---|---|
| Molecular Weight | 277.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1579 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 85303-84-0 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC=CC(=C3C)C |
| InChIKey | UZUVFACVCVJXBX-UHFFFAOYSA-N |
Product Overview
s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- (CAS 85303-84-0), with molecular formula C18H19N3 and molecular weight 277.16 g/mol. IUPAC: 3-(2,3-dimethylphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-
Property Insights of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-
The XLogP value of 4.8 indicates that s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- 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 s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-?
The CAS number of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- is 85303-84-0.
What is the molecular formula of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-?
The molecular formula of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- is C18H19N3.
What is the molecular weight of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-?
The molecular weight of s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- is 277.16 g/mol.
Where can I buy s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-?
You can request a quote for s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-(o-ethylphenyl)-5-(2,3-xylyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.