3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester (CAS 133147-17-8) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dimethyl-5-[methyl(prop-2-ynoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester, 3-Pyridinecarboxylicacid,1,4-dihydro-2,6-dimethyl-5-[[methyl(2-propyn-1-yloxy)amino]carbonyl]-4-(3-nitrophenyl)-,methyl ester, methyl 2,6-dimethyl-5-[methyl(prop-2-ynoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2,6-Dimethyl-4-(3-nitrophenyl)-5-[[methyl[(2-propynyl)oxy]amino]carbonyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester, 3-Pyridinecarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propenyloxy)amino)carbonyl)-,methyl ester
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 2.0258 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 957.2084 |
Chemical Identifiers
| CAS Number | 133147-17-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)OCC#C |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester (CAS 133147-17-8), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: methyl 2,6-dimethyl-5-[methyl(prop-2-ynoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
The XLogP value of 2.0258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester has 1 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 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is 133147-17-8.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is C20H21N3O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is 399.14 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(2-propynyloxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.