![Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate structure](/static/products/5990/5990-58-9.webp)
Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 5990-58-9) is a chemical compound with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
Also Known As: Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
| Molecular Formula | C26H28N2O6 |
|---|---|
| Molecular Weight | 464.19 g/mol |
| LogP | 3.19312 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.19473 |
| Heavy Atoms | 34 |
| Complexity | 1155.7299 |
Chemical Identifiers
| CAS Number | 5990-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)CC1C2=CC=CC(=C2)C)CC(=O)NCC3=CC4=C(C=C3)OCO4)C |
Product Overview
Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 5990-58-9), with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol. IUPAC: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.
Chemical Property Profile of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 3.19312 indicates that Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate has 1 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 Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 5990-58-9.
What is the molecular formula of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is C26H28N2O6.
What is the molecular weight of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 464.19 g/mol.
Where can I buy Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.