4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid
TL;DR: 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid (CAS 24245-01-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dimethylanilino)-4-oxobutanoic acid
Also Known As: N-(2,6-Dimethyl-phenyl)-succinamic acid, 4-(2,6-dimethylanilino)-4-oxobutanoic acid, 3-[(2,6-dimethylphenyl)carbamoyl]propanoic acid, 4-[(2,6-dimethylphenyl)amino]-4-oxobutanoic acid, 2',6'-Dimethyl-succinanilsaeure
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 24245-01-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)O |
| InChIKey | ANORGLROOXVGGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid (CAS 24245-01-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 4-(2,6-dimethylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid
Property Insights of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid. Following Lipinski's Rule of Five, 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid has 2 hydrogen bond donor(s) and 3 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-(2,6-Dimethylanilino)-4-Oxobutanoic Acid?
The CAS number of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid is 24245-01-0.
What is the molecular formula of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid?
The molecular formula of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid is C12H15NO3.
What is the molecular weight of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid?
The molecular weight of 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid is 221.11 g/mol.
Where can I buy 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid?
You can request a quote for 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.