3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride (CAS 133147-22-5) is a chemical compound with molecular formula C36H42ClN5O6 and molecular weight 675.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylphenyl)piperazin-1-yl]ethyl 2,6-dimethyl-5-[methyl(phenylmethoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride, 2-[4-(2-methylphenyl)piperazin-1-yl]ethyl 2,6-dimethyl-5-[methyl(phenylmethoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride, 2-[4-(2-Methylphenyl)piperazin-1-yl]ethyl 5-[(benzyloxy)(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate--hydrogen chloride (1/1), RefChem:282197
| Molecular Formula | C36H42ClN5O6 |
|---|---|
| Molecular Weight | 675.28 g/mol |
| LogP | 5.51542 |
| Topological Polar Surface Area | 117.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 675.28235 |
| Heavy Atoms | 48 |
| Complexity | 1686.8264 |
Chemical Identifiers
| CAS Number | 133147-22-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCOC(=O)C3=C(NC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C)OCC5=CC=CC=C5)C)C.Cl |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride (CAS 133147-22-5), with molecular formula C36H42ClN5O6 and molecular weight 675.28 g/mol. IUPAC: 2-[4-(2-methylphenyl)piperazin-1-yl]ethyl 2,6-dimethyl-5-[methyl(phenylmethoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride
The XLogP value of 5.51542 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride 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-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride 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-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride is 133147-22-5.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride is C36H42ClN5O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride is 675.28 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride 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(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.