![5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide structure](/static/products/866/866345-77-9.png)
5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide (CAS 866345-77-9) 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-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
Also Known As: 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, F1602-0563, 5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide, 5-amino-1-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-N-(2-ethoxyphenyl)-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 | 1076.3538 |
Chemical Identifiers
| CAS Number | 866345-77-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=C(C=C3)C)C)N |
Product Overview
5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide (CAS 866345-77-9), with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol. IUPAC: 5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-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-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-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-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-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-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide is 866345-77-9.
What is the molecular formula of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide is C21H24N6O3.
What is the molecular weight of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide is 408.19 g/mol.
Where can I buy 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-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-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-N-(2-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.