s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-
TL;DR: s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- (CAS 85304-00-3) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole
Also Known As: s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-, 5-(3,4-Dimethoxyphenyl)-3-(o-ethylphenyl)-s-triazole, 1H-1,2,4-Triazole, 3-(3,4-dimethoxyphenyl)-5-(2-ethylphenyl)-, 3-(3,4-dimethoxyphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 5-(3,4-dimethoxyphenyl)-3-(2-ethylphenyl)-
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 85304-00-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=C(C=C3)OC)OC |
| InChIKey | YCCDVJACQVPBJF-UHFFFAOYSA-N |
Product Overview
s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- (CAS 85304-00-3), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-
Property Insights of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-
The XLogP value of 4.0 indicates that s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- 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 s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-. Following Lipinski's Rule of Five, s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- 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 s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-?
The CAS number of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- is 85304-00-3.
What is the molecular formula of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-?
The molecular formula of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- is C18H19N3O2.
What is the molecular weight of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-?
The molecular weight of s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- is 309.15 g/mol.
Where can I buy s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-?
You can request a quote for s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 5-(3,4-dimethoxyphenyl)-3-(o-ethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.