dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
TL;DR: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 695167-74-9) is a chemical compound with molecular formula C23H21ClFNO6 and molecular weight 461.10 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-(2,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate, Dimethyl 1-(3-chloro-4-fluoro-phenyl)-4-(2,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate, methyl 4-(2,4-dimethoxyphenyl)-1-(3-chloro-4-fluorophenyl)-5-(methoxycarbonyl) -1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H21ClFNO6 |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.2139 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.10416 |
| Heavy Atoms | 32 |
| Complexity | 1079.6606 |
Chemical Identifiers
| CAS Number | 695167-74-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2C(=CN(C=C2C(=O)OC)C3=CC(=C(C=C3)F)Cl)C(=O)OC)OC |
Product Overview
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 695167-74-9), with molecular formula C23H21ClFNO6 and molecular weight 461.10 g/mol. IUPAC: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Property Insights of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
The XLogP value of 4.2139 indicates that dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-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-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The CAS number of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 695167-74-9.
What is the molecular formula of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular formula of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is C23H21ClFNO6.
What is the molecular weight of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The molecular weight of dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is 461.10 g/mol.
Where can I buy dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
You can request a quote for dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.