3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester (CAS 107610-45-7) is a chemical compound with molecular formula C34H35ClN4O6 and molecular weight 630.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester, 5-[2-(4-Benzhydrylpiperazin-1-yl)ethyl]oxycarbonyl-2-chloro-3-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine, 5-{2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl} 3-methyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:272140
| Molecular Formula | C34H35ClN4O6 |
|---|---|
| Molecular Weight | 630.22 g/mol |
| LogP | 5.1294 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 630.2245 |
| Heavy Atoms | 45 |
| Complexity | 1563.6292 |
Chemical Identifiers
| CAS Number | 107610-45-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)Cl)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester (CAS 107610-45-7), with molecular formula C34H35ClN4O6 and molecular weight 630.22 g/mol. IUPAC: 5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester
The XLogP value of 5.1294 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester is 107610-45-7.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester is C34H35ClN4O6.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester is 630.22 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.