3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester (CAS 133147-23-6) is a chemical compound with molecular formula C29H33Cl2N5O6 and molecular weight 617.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl 5-[methoxy(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-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester, 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl 5-[methoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2,6-Dimethyl-4-(3-nitrophenyl)-5-[[methyl(methoxy)amino]carbonyl]-1,4-dihydropyridine-3-carboxylic acid 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl ester, RefChem:282192
| Molecular Formula | C29H33Cl2N5O6 |
|---|---|
| Molecular Weight | 617.18 g/mol |
| LogP | 4.5216 |
| Topological Polar Surface Area | 117.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 617.1808 |
| Heavy Atoms | 42 |
| Complexity | 1437.3431 |
Chemical Identifiers
| CAS Number | 133147-23-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C)OC |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester (CAS 133147-23-6), with molecular formula C29H33Cl2N5O6 and molecular weight 617.18 g/mol. IUPAC: 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl 5-[methoxy(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-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester
The XLogP value of 4.5216 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-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-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-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-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester is 133147-23-6.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester is C29H33Cl2N5O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester is 617.18 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-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-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.