3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride (CAS 133147-21-4) is a chemical compound with molecular formula C30H38ClN5O6 and molecular weight 599.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(propan-2-yloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride, 2,6-Dimethyl-4-(3-nitrophenyl)-5-{[2-(4-phenylpiperazin-1-yl)ethoxy]carbonyl}-N-[(propan-2-yl)oxy]-1,4-dihydropyridine-3-carboximidic acid--hydrogen chloride (1/1), 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(propan-2-yloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate hydrochloride, RefChem:282186
| Molecular Formula | C30H38ClN5O6 |
|---|---|
| Molecular Weight | 599.25 g/mol |
| LogP | 4.073 |
| Topological Polar Surface Area | 126.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 599.25104 |
| Heavy Atoms | 42 |
| Complexity | 1338.7096 |
Chemical Identifiers
| CAS Number | 133147-21-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NOC(C)C.Cl |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride (CAS 133147-21-4), with molecular formula C30H38ClN5O6 and molecular weight 599.25 g/mol. IUPAC: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(propan-2-yloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride
The XLogP value of 4.073 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride 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-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride 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-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride is 133147-21-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride is C30H38ClN5O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride is 599.25 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-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-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.