1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
TL;DR: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 904813-40-7) is a chemical compound with molecular formula C21H21N5O and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyltriazole-4-carboxamide
Also Known As: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, VU0609331-1, F3296-0449, 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyltriazole-4-carboxamide, [1-(4-butylphenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(2-cyanophenyl)carboxamide
| Molecular Formula | C21H21N5O |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 4.0423 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.17462 |
| Heavy Atoms | 27 |
| Complexity | 982.5517 |
Chemical Identifiers
| CAS Number | 904813-40-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=CC=C3C#N)C |
Product Overview
1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 904813-40-7), with molecular formula C21H21N5O and molecular weight 359.17 g/mol. IUPAC: 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Property Insights of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 4.0423 indicates that 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide 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 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is 904813-40-7.
What is the molecular formula of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is C21H21N5O.
What is the molecular weight of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is 359.17 g/mol.
Where can I buy 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-butylphenyl)-N-(2-cyanophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.