2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine
TL;DR: 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine (CAS 84761-75-1) is a chemical compound with molecular formula C20H23F2NO6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[2-(difluoromethylsulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)-2,6-dimethyl-, diethyl ester, 2,6-dimethyl-3,5-diethoxycarbonyl-4-1,4-dihydropyridine, 2,6-Dimethyl-3,5-diethoxycarbonyl-4- -1,4-dihydropyridine, diethyl 4-[2-(difluoromethylsulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H23F2NO6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 3.0439 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.12143 |
| Heavy Atoms | 30 |
| Complexity | 973.8779 |
Chemical Identifiers
| CAS Number | 84761-75-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2S(=O)(=O)C(F)F)C(=O)OCC)C)C |
Product Overview
2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine (CAS 84761-75-1), with molecular formula C20H23F2NO6S and molecular weight 443.12 g/mol. IUPAC: diethyl 4-[2-(difluoromethylsulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine
Property Insights of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine
The XLogP value of 3.0439 indicates that 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine. Following Lipinski's Rule of Five, 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine 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 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine?
The CAS number of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine is 84761-75-1.
What is the molecular formula of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine?
The molecular formula of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine is C20H23F2NO6S.
What is the molecular weight of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine?
The molecular weight of 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine is 443.12 g/mol.
Where can I buy 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine?
You can request a quote for 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.