![5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide structure](/static/products/866/866345-80-4.png)
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
TL;DR: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide (CAS 866345-80-4) is a chemical compound with molecular formula C21H22N6O4 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
Also Known As: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide, 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(3,4-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C21H22N6O4 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 1.77454 |
| Topological Polar Surface Area | 133.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.17026 |
| Heavy Atoms | 31 |
| Complexity | 1156.7668 |
Chemical Identifiers
| CAS Number | 866345-80-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N)C |
Product Overview
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide (CAS 866345-80-4), with molecular formula C21H22N6O4 and molecular weight 422.17 g/mol. IUPAC: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide.
Chemical Property Profile of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
Property Insights of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
The XLogP value of 1.77454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide. The TPSA of 133.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide has 3 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide?
The CAS number of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide is 866345-80-4.
What is the molecular formula of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide?
The molecular formula of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide is C21H22N6O4.
What is the molecular weight of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide?
The molecular weight of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide is 422.17 g/mol.
Where can I buy 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide?
You can request a quote for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]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-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.