3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (CAS 133147-25-8) is a chemical compound with molecular formula C29H34ClN5O6 and molecular weight 583.22 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-(ethoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester, 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-(ethoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2,6-Dimethyl-4-(3-nitrophenyl)-5-[(ethoxyamino)carbonyl]-1,4-dihydropyridine-3-carboxylic acid 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl ester, 5-({2-[4-(4-Chlorophenyl)piperazin-1-yl]ethoxy}carbonyl)-N-ethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acid, BRN 4283869
| Molecular Formula | C29H34ClN5O6 |
|---|---|
| Molecular Weight | 583.22 g/mol |
| LogP | 3.9161 |
| Topological Polar Surface Area | 126.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 583.2198 |
| Heavy Atoms | 41 |
| Complexity | 1351.7207 |
Chemical Identifiers
| CAS Number | 133147-25-8 |
|---|---|
| SMILES | CCONC(=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-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (CAS 133147-25-8), with molecular formula C29H34ClN5O6 and molecular weight 583.22 g/mol. IUPAC: 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-(ethoxycarbamoyl)-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-((ethoxyamino)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-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
The XLogP value of 3.9161 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)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 126.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)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-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester has 2 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-((ethoxyamino)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-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is 133147-25-8.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)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-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is C29H34ClN5O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)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-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester is 583.22 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)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-((ethoxyamino)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-((ethoxyamino)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-((ethoxyamino)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.