4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
TL;DR: 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid (CAS 831189-00-5) is a chemical compound with molecular formula C15H12FNO4 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
Also Known As: TimTec1_006425, 4-(4-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid, A3314/0140878
| Molecular Formula | C15H12FNO4 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.07504 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 831189-00-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | LDIIUVSVCJGIBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid (CAS 831189-00-5), with molecular formula C15H12FNO4 and molecular weight 289.08 g/mol. IUPAC: 4-(4-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid.
Chemical Property Profile of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
Property Insights of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid 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 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
The CAS number of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid is 831189-00-5.
What is the molecular formula of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
The molecular formula of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid is C15H12FNO4.
What is the molecular weight of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
The molecular weight of 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid is 289.08 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
You can request a quote for 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.