dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 669736-08-7) is a chemical compound with molecular formula C22H20BrNO6 and molecular weight 473.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate, Dimethyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate, dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate, methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(methoxycarbonyl)-1-phenyl-1,4- dihydropyridine-3-carboxylate
| Molecular Formula | C22H20BrNO6 |
|---|---|
| Molecular Weight | 473.05 g/mol |
| LogP | 3.8809 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.0474 |
| Heavy Atoms | 30 |
| Complexity | 997.42334 |
Chemical Identifiers
| CAS Number | 669736-08-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3=CC=CC=C3)C(=O)OC)Br)O |
Product Overview
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 669736-08-7), with molecular formula C22H20BrNO6 and molecular weight 473.05 g/mol. IUPAC: dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 3.8809 indicates that dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate has 1 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 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is 669736-08-7.
What is the molecular formula of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is C22H20BrNO6.
What is the molecular weight of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate is 473.05 g/mol.
Where can I buy dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-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 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.