dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 669736-41-8) is a chemical compound with molecular formula C23H21BrClNO5 and molecular weight 505.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-DIMETHYL 4-(3-BROMO-4-METHOXYPHENYL)-1-[(4-CHLOROPHENYL)METHYL]-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, Dimethyl 4-(3-bromo-4-methoxy-phenyl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate, dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate, methyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-(methoxycarbon yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H21BrClNO5 |
|---|---|
| Molecular Weight | 505.03 g/mol |
| LogP | 4.8243 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.02917 |
| Heavy Atoms | 31 |
| Complexity | 1014.4324 |
Chemical Identifiers
| CAS Number | 669736-41-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)Cl)C(=O)OC)Br |
Product Overview
dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 669736-41-8), with molecular formula C23H21BrClNO5 and molecular weight 505.03 g/mol. IUPAC: dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 4.8243 indicates that dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate is 669736-41-8.
What is the molecular formula of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate is C23H21BrClNO5.
What is the molecular weight of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate is 505.03 g/mol.
Where can I buy dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-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 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.