3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (CAS 133147-24-7) is a chemical compound with molecular formula C30H36ClN5O6 and molecular weight 597.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-[ethoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester, 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-[ethoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2,6-Dimethyl-4-(3-nitrophenyl)-5-[[methyl(ethoxy)amino]carbonyl]-1,4-dihydropyridine-3-carboxylic acid 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl ester, RefChem:282191
| Molecular Formula | C30H36ClN5O6 |
|---|---|
| Molecular Weight | 597.24 g/mol |
| LogP | 4.2583 |
| Topological Polar Surface Area | 117.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.2354 |
| Heavy Atoms | 42 |
| Complexity | 1384.8132 |
Chemical Identifiers
| CAS Number | 133147-24-7 |
|---|---|
| SMILES | CCON(C)C(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C4=CC=C(C=C4)Cl)C)C |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (CAS 133147-24-7), with molecular formula C30H36ClN5O6 and molecular weight 597.24 g/mol. IUPAC: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-[ethoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
The XLogP value of 4.2583 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is 133147-24-7.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is C30H36ClN5O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is 597.24 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl 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-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.