4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid
TL;DR: 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid (CAS 1164486-25-2) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-(2-chloro-4,6-dimethylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(2-chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid, (Z)-4-(2-chloro-4,6-dimethylanilino)-4-oxobut-2-enoic acid
Technical Specifications
| Molecular Formula | C12H12ClNO3 |
| Molecular Weight | 253.05057 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05057 Da |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
| SMILES | CC1=CC(=C(C(=C1)Cl)NC(=O)/C=C\C(=O)O)C |
| InChIKey | LYXCUCCJBOTLKF-ARJAWSKDSA-N |
Chemical Property Profile of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid
Property Insights of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic 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
What is the CAS number of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid?
The CAS number of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid is 1164486-25-2.
What is the molecular formula of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid?
The molecular formula of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid is C12H12ClNO3.
What is the molecular weight of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid?
The molecular weight of 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid is 253.05057 g/mol.
Where can I buy 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid?
You can request a quote for 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Chloro-4,6-dimethylanilino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.