(3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride
TL;DR: (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride (CAS 116308-46-4) is a chemical compound with molecular formula C26H29ClF3N3O4 and molecular weight 539.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[4-(dimethylamino)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride, 2-[4-(Dimethylamino)phenyl]ethyl methyl 2',6'-dimethyl-2-(trifluoromethyl)-1',4'-dihydro[3,4'-bipyridine]-3',5'-dicarboxylate--hydrogen chloride (1/1), 5-O-[2-(4-dimethylaminophenyl)ethyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)pyridin-3-yl]-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, RefChem:207342
| Molecular Formula | C26H29ClF3N3O4 |
|---|---|
| Molecular Weight | 539.18 g/mol |
| LogP | 4.7819 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1799 |
| Heavy Atoms | 37 |
| Complexity | 1208.2927 |
Chemical Identifiers
| CAS Number | 116308-46-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N(C)C)C3=C(N=CC=C3)C(F)(F)F)C(=O)OC.Cl |
Product Overview
(3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride (CAS 116308-46-4), with molecular formula C26H29ClF3N3O4 and molecular weight 539.18 g/mol. IUPAC: 5-O-[2-[4-(dimethylamino)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride
Property Insights of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride
The XLogP value of 4.7819 indicates that (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride. Following Lipinski's Rule of Five, (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride?
The CAS number of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride is 116308-46-4.
What is the molecular formula of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride?
The molecular formula of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride is C26H29ClF3N3O4.
What is the molecular weight of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride?
The molecular weight of (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride is 539.18 g/mol.
Where can I buy (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride?
You can request a quote for (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)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 (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.