3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester (CAS 110525-42-3) is a chemical compound with molecular formula C26H35F2NO4S and molecular weight 495.2255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(3-methylbutyl) 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester, 2,6-Dimethyl-3,5-di(isopentyloxycarbonyl)-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridine, bis(3-methylbutyl) 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Bis(3-methylbutyl) 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, BRN 5656523
Technical Specifications
| Molecular Formula | C26H35F2NO4S |
| Molecular Weight | 495.2255 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 495.2255 Da |
| Heavy Atoms | 34 |
| Complexity | 731.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC(C)C)C2=CC=CC=C2SC(F)F)C(=O)OCCC(C)C |
| InChIKey | HPKCZJWEFFDHFR-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester
The XLogP value of 6.9 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester is 110525-42-3.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester is C26H35F2NO4S.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester is 495.2255 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester?
Yes, CoreyChem provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.