3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 444153-36-0) is a chemical compound with molecular formula C24H22ClN3O and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
Also Known As: BAS 01816344, 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole, 3-(4-Butoxy-phenyl)-5-(4-chloro-phenyl)-4-phenyl-4H-[1,2,4]triazole, 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole, 4-butoxy-1-[5-(4-chlorophenyl)-4-phenyl(1,2,4-triazol-3-yl)]benzene
| Molecular Formula | C24H22ClN3O |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 6.4336 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.14514 |
| Heavy Atoms | 29 |
| Complexity | 1057.7483 |
Chemical Identifiers
| CAS Number | 444153-36-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 444153-36-0), with molecular formula C24H22ClN3O and molecular weight 403.15 g/mol. IUPAC: 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 6.4336 indicates that 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole has 0 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 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole is 444153-36-0.
What is the molecular formula of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole is C24H22ClN3O.
What is the molecular weight of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole is 403.15 g/mol.
Where can I buy 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxyphenyl)-5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.