3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester (CAS 105951-93-7) is a chemical compound with molecular formula C16H15FN2O6 and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluoro-5-nitrophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester, 4-(2-FLUORO-5-NITROPHENYL)-5-(METHOXYCARBONYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLIC ACID, 2,6-Dimethyl-1,4-dihydro-4-(2-fluoro-5-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-methyl ester, 4-(2-fluoro-5-nitrophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
| Molecular Formula | C16H15FN2O6 |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 2.2263 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.0914 |
| Heavy Atoms | 25 |
| Complexity | 843.02673 |
Chemical Identifiers
| CAS Number | 105951-93-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])F)C(=O)O |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester (CAS 105951-93-7), with molecular formula C16H15FN2O6 and molecular weight 350.09 g/mol. IUPAC: 4-(2-fluoro-5-nitrophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester
The XLogP value of 2.2263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester has 2 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester is 105951-93-7.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester is C16H15FN2O6.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester is 350.09 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl 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-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.