s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride
TL;DR: s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride (CAS 85681-50-1) is a chemical compound with molecular formula C19H20ClN3O and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole;hydrochloride
Also Known As: s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride, 5-(m-Allyloxyphenyl)-3-(o-ethylphenyl)-s-triazole monohydrochloride, 1H-1,2,4-Triazole, 3-(2-ethylphenyl)-5-(3-(2-propenyloxy)phenyl)-, monohydrochloride, 5-(m-(Allyloxy)phenyl)-3-(O-ethylphenyl)-S-triazole, monohydrochloride, 5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole hydrochloride
| Molecular Formula | C19H20ClN3O |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 4.6877 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1295 |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 85681-50-1 |
|---|---|
| SMILES | CCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OCC=C.Cl |
| InChIKey | NMAYFCHAZXEASR-UHFFFAOYSA-N |
Product Overview
s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride (CAS 85681-50-1), with molecular formula C19H20ClN3O and molecular weight 341.13 g/mol. IUPAC: 5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole;hydrochloride.
Chemical Property Profile of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride
Property Insights of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride
The XLogP value of 4.6877 indicates that s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride has 2 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 s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride?
The CAS number of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride is 85681-50-1.
What is the molecular formula of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride?
The molecular formula of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride is C19H20ClN3O.
What is the molecular weight of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride?
The molecular weight of s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride is 341.13 g/mol.
Where can I buy s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride?
You can request a quote for s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride 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-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 5-(m-(allyloxy)phenyl)-3-(o-ethylphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.