![5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide structure](/static/products/866/866345-90-6.png)
5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide (CAS 866345-90-6) is a chemical compound with molecular formula C23H26N6O6 and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide
Also Known As: 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide, F1602-0576, 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide, 5-amino-1-(2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxoethyl)-N-(3,4-dimethoxyphenethyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C23H26N6O6 |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 1.2599 |
| Topological Polar Surface Area | 151.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.19138 |
| Heavy Atoms | 35 |
| Complexity | 1227.2059 |
Chemical Identifiers
| CAS Number | 866345-90-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCCO4)N)OC |
Product Overview
5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide (CAS 866345-90-6), with molecular formula C23H26N6O6 and molecular weight 482.19 g/mol. IUPAC: 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 1.2599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide. The TPSA of 151.85 Ų indicates high polarity, suggesting 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide has 3 hydrogen bond donor(s) and 9 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-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide is 866345-90-6.
What is the molecular formula of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide is C23H26N6O6.
What is the molecular weight of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide is 482.19 g/mol.
Where can I buy 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-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-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.