(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester
TL;DR: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester (CAS 116308-47-5) is a chemical compound with molecular formula C38H36N4O4 and molecular weight 612.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[4-(dibenzylamino)phenyl]ethyl] 3-O-methyl 4-(4-cyano-2-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester, 2,6-Dimethyl-4-(4-cyano-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl 5-[2-[4-dibenzylaminophenyl]ethyl] ester, 2-[4-(Dibenzylamino)phenyl]ethyl methyl 4-cyano-2',6'-dimethyl-1',4'-dihydro[2,4'-bipyridine]-3',5'-dicarboxylate, 3'-{2-[4-(dibenzylamino)phenyl]ethyl} 5'-methyl 4-cyano-2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate, 5-O-[2-[4-(dibenzylamino)phenyl]ethyl] 3-O-methyl 4-(4-cyanopyridin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C38H36N4O4 |
|---|---|
| Molecular Weight | 612.27 g/mol |
| LogP | 6.35378 |
| Topological Polar Surface Area | 104.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 612.2737 |
| Heavy Atoms | 46 |
| Complexity | 1750.6448 |
Chemical Identifiers
| CAS Number | 116308-47-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=NC=CC(=C5)C#N)C(=O)OC |
Product Overview
(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester (CAS 116308-47-5), with molecular formula C38H36N4O4 and molecular weight 612.27 g/mol. IUPAC: 5-O-[2-[4-(dibenzylamino)phenyl]ethyl] 3-O-methyl 4-(4-cyano-2-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester
Property Insights of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester
The XLogP value of 6.35378 indicates that (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester. Following Lipinski's Rule of Five, (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester?
The CAS number of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester is 116308-47-5.
What is the molecular formula of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester?
The molecular formula of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester is C38H36N4O4.
What is the molecular weight of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester?
The molecular weight of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester is 612.27 g/mol.
Where can I buy (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester?
You can request a quote for (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(bis(phenylmethyl)amino)phenyl)ethyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.