5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate
TL;DR: 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate (CAS 887407-05-8) is a chemical compound with molecular formula C26H26F3NO6 and molecular weight 505.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[(3,4-dimethoxyphenyl)methyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate, 5-O-[(3,4-dimethoxyphenyl)methyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, (3,4-Dimethoxyphenyl)methyl methyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, 4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinecarboxylic Acid Methyl Ester, 5-Methyl 3-(3 inverted exclamation mark ,4 inverted exclamation mark -Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2 inverted exclamation mark -trifluoromethyl)phenyl-3,5-pyridinedicarboxylate
| Molecular Formula | C26H26F3NO6 |
|---|---|
| Molecular Weight | 505.17 g/mol |
| LogP | 4.8738 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.17123 |
| Heavy Atoms | 36 |
| Complexity | 1232.4255 |
Chemical Identifiers
| CAS Number | 887407-05-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3C(F)(F)F)C(=O)OC |
Product Overview
5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate (CAS 887407-05-8), with molecular formula C26H26F3NO6 and molecular weight 505.17 g/mol. IUPAC: 5-O-[(3,4-dimethoxyphenyl)methyl] 3-O-methyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate
Property Insights of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate
The XLogP value of 4.8738 indicates that 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate. Following Lipinski's Rule of Five, 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate 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 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate?
The CAS number of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate is 887407-05-8.
What is the molecular formula of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate?
The molecular formula of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate is C26H26F3NO6.
What is the molecular weight of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate?
The molecular weight of 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate is 505.17 g/mol.
Where can I buy 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate?
You can request a quote for 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl 3-(3',4'-Dimethoxybenzyl)-1,4-Dihydro-2,6-dimethyl-5-(2'-trifluoromethyl)phenyl-3,5-pyridinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.