![5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide structure](/static/products/866/866016-32-2.png)
5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide (CAS 866016-32-2) is a chemical compound with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-(3,4-dimethylphenyl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide
Also Known As: 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide, F1602-0027, 5-amino-N-(3,4-dimethylphenyl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide, 5-amino-N-(3,4-dimethylphenyl)-1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(3,4-dimethylphenyl)-1-(2-((4-ethoxyphenyl)amino)-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C21H24N6O3 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 2.76684 |
| Topological Polar Surface Area | 124.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.19098 |
| Heavy Atoms | 30 |
| Complexity | 1059.1038 |
Chemical Identifiers
| CAS Number | 866016-32-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)C)C)N |
Product Overview
5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide (CAS 866016-32-2), with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol. IUPAC: 5-amino-N-(3,4-dimethylphenyl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]triazole-4-carboxamide.
Chemical Property Profile of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 2.76684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide. The TPSA of 124.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide has 3 hydrogen bond donor(s) and 6 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 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide is 866016-32-2.
What is the molecular formula of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide is C21H24N6O3.
What is the molecular weight of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide is 408.19 g/mol.
Where can I buy 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]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 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-N-(3,4-dimethylphenyl)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.