3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester (CAS 100507-48-0) is a chemical compound with molecular formula C18H18F2N2O3 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester, ethyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate, 3-Pyridinecarboxylic acid,1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-,ethyl ester, BRN 5622351, RefChem:282203
| Molecular Formula | C18H18F2N2O3 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 3.60948 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.12854 |
| Heavy Atoms | 25 |
| Complexity | 778.771 |
Chemical Identifiers
| CAS Number | 100507-48-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C#N)C)C |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester (CAS 100507-48-0), with molecular formula C18H18F2N2O3 and molecular weight 348.13 g/mol. IUPAC: ethyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester
The XLogP value of 3.60948 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester has 1 hydrogen bond donor(s) and 5 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, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester is 100507-48-0.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester is C18H18F2N2O3.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester is 348.13 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester 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, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.