s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-
TL;DR: s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- (CAS 85303-89-5) is a chemical compound with molecular formula C19H21N3O and molecular weight 307.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
Also Known As: s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-, 3- -5- -2H-1,2,4-triazole, 3-(o-Butylphenyl)-5-(m-methoxyphenyl)-s-triazole, 3-(o-Ethylphenyl)-5-piperonyl-s-triazole, 5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
| Molecular Formula | C19H21N3O |
|---|---|
| Molecular Weight | 307.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.16846 |
| Heavy Atoms | 23 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 85303-89-5 |
|---|---|
| SMILES | CCCCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OC |
| InChIKey | XBYGUXKVAJQXEO-UHFFFAOYSA-N |
Product Overview
s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- (CAS 85303-89-5), with molecular formula C19H21N3O and molecular weight 307.17 g/mol. IUPAC: 5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-
Property Insights of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-
The XLogP value of 5.2 indicates that s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- 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, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-?
The CAS number of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- is 85303-89-5.
What is the molecular formula of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-?
The molecular formula of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- is C19H21N3O.
What is the molecular weight of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-?
The molecular weight of s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- is 307.17 g/mol.
Where can I buy s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)-?
You can request a quote for s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- 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-butylphenyl)-5-(m-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-(o-butylphenyl)-5-(m-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.