(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride
TL;DR: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride (CAS 116308-52-2) is a chemical compound with molecular formula C41H42ClN5O4 and molecular weight 703.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl 4-(4-cyano-2-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride, 2-{4-[4-(Diphenylmethyl)piperazin-1-yl]phenyl}ethyl methyl 4-cyano-2',6'-dimethyl-1',4'-dihydro[2,4'-bipyridine]-3',5'-dicarboxylate--hydrogen chloride (1/1), 5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl 4-(4-cyanopyridin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, RefChem:205470
| Molecular Formula | C41H42ClN5O4 |
|---|---|
| Molecular Weight | 703.29 g/mol |
| LogP | 6.48038 |
| Topological Polar Surface Area | 107.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 703.29254 |
| Heavy Atoms | 51 |
| Complexity | 1892.8229 |
Chemical Identifiers
| CAS Number | 116308-52-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=CC(=C6)C#N)C(=O)OC.Cl |
Product Overview
(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride (CAS 116308-52-2), with molecular formula C41H42ClN5O4 and molecular weight 703.29 g/mol. IUPAC: 5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl 4-(4-cyano-2-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride
Property Insights of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride
The XLogP value of 6.48038 indicates that (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.79 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-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride. Following Lipinski's Rule of Five, (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl 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 (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride?
The CAS number of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride is 116308-52-2.
What is the molecular formula of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride?
The molecular formula of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride is C41H42ClN5O4.
What is the molecular weight of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride?
The molecular weight of (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride is 703.29 g/mol.
Where can I buy (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride?
You can request a quote for (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride 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-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride?
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-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.