dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 694524-90-8) is a chemical compound with molecular formula C22H18Cl2FNO6 and molecular weight 481.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate, methyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-(m ethoxycarbonyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H18Cl2FNO6 |
|---|---|
| Molecular Weight | 481.05 g/mol |
| LogP | 4.5643 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.04953 |
| Heavy Atoms | 32 |
| Complexity | 1113.4812 |
Chemical Identifiers
| CAS Number | 694524-90-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3=CC(=C(C=C3)F)Cl)C(=O)OC)Cl)O |
Product Overview
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 694524-90-8), with molecular formula C22H18Cl2FNO6 and molecular weight 481.05 g/mol. IUPAC: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 4.5643 indicates that dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-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 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-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 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 694524-90-8.
What is the molecular formula of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C22H18Cl2FNO6.
What is the molecular weight of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 481.05 g/mol.
Where can I buy dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-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-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.