3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester (CAS 53219-40-2) is a chemical compound with molecular formula C18H18F3NO4 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester, 5-22-04-00275 (Beilstein Handbook Reference), dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, 1,4-Dihydro-2,6-dimethyl-4-[o-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylic acid dimethyl ester, diethyl 2,6-dimethyl-1,4-diphenyldihydropyridine-3,5-dicarboxylate
| Molecular Formula | C18H18F3NO4 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 3.2862 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.1188 |
| Heavy Atoms | 26 |
| Complexity | 770.8994 |
Chemical Identifiers
| CAS Number | 53219-40-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2C(F)(F)F)C(=O)OC |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester (CAS 53219-40-2), with molecular formula C18H18F3NO4 and molecular weight 369.12 g/mol. IUPAC: dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester
The XLogP value of 3.2862 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester is 53219-40-2.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester is C18H18F3NO4.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester is 369.12 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl 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-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.