diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 669712-95-2) is a chemical compound with molecular formula C27H30FNO7 and molecular weight 499.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate, 3,5-DIETHYL 1-[(4-FLUOROPHENYL)METHYL]-4-(3,4,5-TRIMETHOXYPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, ethyl 5-(ethoxycarbonyl)-1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl) -1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H30FNO7 |
|---|---|
| Molecular Weight | 499.20 g/mol |
| LogP | 4.3449 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.20062 |
| Heavy Atoms | 36 |
| Complexity | 1096.2073 |
Chemical Identifiers
| CAS Number | 669712-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC)CC3=CC=C(C=C3)F |
Product Overview
diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 669712-95-2), with molecular formula C27H30FNO7 and molecular weight 499.20 g/mol. IUPAC: diethyl 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 4.3449 indicates that diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 669712-95-2.
What is the molecular formula of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C27H30FNO7.
What is the molecular weight of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 499.20 g/mol.
Where can I buy diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-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 diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1-(4-fluorobenzyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.