3-Pyridinecarboxylic acid,4,5,6-trichloro
TL;DR: 3-Pyridinecarboxylic acid,4,5,6-trichloro (CAS 84761-71-7) is a chemical compound with molecular formula C18H19F2NO5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-[4-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3-Pyridinecarboxylic acid,4,5,6-trichloro, 2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(p-difluoromethoxyphenyl)-1,4-dihydropyridine, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)phenyl)-2,6-dimethyl-, dimethyl ester, 2,6-Dimethyl-3,5-Dimethoxycarbonyl-4-(4-Difluoromethoxyphenyl)-1,4-Dihydropyridine, 2,6-dimethyl-3,5-dimethoxycarbonyl-4-1,4-dihydropyridine
| Molecular Formula | C18H19F2NO5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 2.8688 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.12314 |
| Heavy Atoms | 26 |
| Complexity | 730.2911 |
Chemical Identifiers
| CAS Number | 84761-71-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OC(F)F)C(=O)OC |
Product Overview
3-Pyridinecarboxylic acid,4,5,6-trichloro (CAS 84761-71-7), with molecular formula C18H19F2NO5 and molecular weight 367.12 g/mol. IUPAC: dimethyl 4-[4-(difluoromethoxy)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 2.8688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid,4,5,6-trichloro. The TPSA of 73.86 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 84761-71-7.
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 C18H19F2NO5.
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 367.12 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.