dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 695154-88-2) is a chemical compound with molecular formula C24H20F3NO6 and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4-methoxycarbonylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 1-(4-methoxycarbonylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate, dimethyl 1-[4-(methoxycarbonyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, methyl 4-{3,5-bis(methoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropy ridyl}benzoate
| Molecular Formula | C24H20F3NO6 |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 4.2096 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12427 |
| Heavy Atoms | 34 |
| Complexity | 1133.976 |
Chemical Identifiers
| CAS Number | 695154-88-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC |
Product Overview
dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 695154-88-2), with molecular formula C24H20F3NO6 and molecular weight 475.12 g/mol. IUPAC: dimethyl 1-(4-methoxycarbonylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 4.2096 indicates that dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 695154-88-2.
What is the molecular formula of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C24H20F3NO6.
What is the molecular weight of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 475.12 g/mol.
Where can I buy dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(4-(methoxycarbonyl)phenyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.