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 495.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C26H35F2NO4S |
|---|---|
| Molecular Weight | 495.23 g/mol |
| LogP | 6.4147 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 495.2255 |
| Heavy Atoms | 34 |
| Complexity | 892.4832 |
Chemical Identifiers
| CAS Number | 110525-42-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC(C)C)C2=CC=CC=C2SC(F)F)C(=O)OCCC(C)C |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester (CAS 110525-42-3), with molecular formula C26H35F2NO4S and molecular weight 495.23 g/mol. IUPAC: bis(3-methylbutyl) 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
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 6.4147 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 64.63 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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 495.23 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester?
Yes, KEHONG BIO 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.