3-Pyridinecarboxylic acid,4,5,6-trichloro
TL;DR: 3-Pyridinecarboxylic acid,4,5,6-trichloro (CAS 84761-73-9) is a chemical compound with molecular formula C20H23F2NO4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3-Pyridinecarboxylic acid,4,5,6-trichloro, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-(difluoromethylthio)phenyl)-2,6-dimethyl-, diethyl ester, 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-(difluoromethylthio)phenyl)-1,4-dihydropyridine, 2,6-Dimethyl-3,5-Diethoxycarbonyl-4-(2-(Difluoromethylthio)Phenyl)-1,4 -Dihydropyridine, diethyl 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H23F2NO4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 4.3623 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1316 |
| Heavy Atoms | 28 |
| Complexity | 780.17865 |
Chemical Identifiers
| CAS Number | 84761-73-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC(F)F)C(=O)OCC)C)C |
Product Overview
3-Pyridinecarboxylic acid,4,5,6-trichloro (CAS 84761-73-9), with molecular formula C20H23F2NO4S and molecular weight 411.13 g/mol. IUPAC: diethyl 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid,4,5,6-trichloro
Property Insights of 3-Pyridinecarboxylic acid,4,5,6-trichloro
The XLogP value of 4.3623 indicates that 3-Pyridinecarboxylic acid,4,5,6-trichloro 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-Pyridinecarboxylic acid,4,5,6-trichloro. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid,4,5,6-trichloro has 1 hydrogen bond donor(s) and 6 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 3-Pyridinecarboxylic acid,4,5,6-trichloro?
The CAS number of 3-Pyridinecarboxylic acid,4,5,6-trichloro is 84761-73-9.
What is the molecular formula of 3-Pyridinecarboxylic acid,4,5,6-trichloro?
The molecular formula of 3-Pyridinecarboxylic acid,4,5,6-trichloro is C20H23F2NO4S.
What is the molecular weight of 3-Pyridinecarboxylic acid,4,5,6-trichloro?
The molecular weight of 3-Pyridinecarboxylic acid,4,5,6-trichloro is 411.13 g/mol.
Where can I buy 3-Pyridinecarboxylic acid,4,5,6-trichloro?
You can request a quote for 3-Pyridinecarboxylic acid,4,5,6-trichloro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid,4,5,6-trichloro?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid,4,5,6-trichloro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.