Nixylic acid
TL;DR: Nixylic acid (CAS 4394-05-2) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Nixylic acid
2-(2,3-dimethylanilino)pyridine-3-carboxylic acid
Also Known As: Nixylic acid, Acide nixylique, Acido nixilico, Acidum nixylicum, Nixylic acid [INN:DCF]
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
| Solubility | >36.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4394-05-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)O)C |
| InChIKey | XEQIPELDMSEBJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nixylic acid (CAS 4394-05-2), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 2-(2,3-dimethylanilino)pyridine-3-carboxylic acid.
Chemical Property Profile of Nixylic acid
Property Insights of Nixylic acid
The XLogP value of 3.5 indicates that Nixylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nixylic acid. Following Lipinski's Rule of Five, Nixylic acid has 2 hydrogen bond donor(s) and 4 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 Nixylic acid?
The CAS number of Nixylic acid is 4394-05-2.
What is the molecular formula of Nixylic acid?
The molecular formula of Nixylic acid is C14H14N2O2.
What is the molecular weight of Nixylic acid?
The molecular weight of Nixylic acid is 242.11 g/mol.
Where can I buy Nixylic acid?
You can request a quote for Nixylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nixylic acid?
Yes, KEHONG BIO provides custom synthesis services for Nixylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.