(Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
TL;DR: (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid (CAS 116081-44-8) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
Also Known As: N-(3-Chloro-4-methylphenyl)maleamic acid, (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid, N-(3-Chloro-4-methylphenyl)maleamidic acid, N-(3-chloro-4-methyl-phenyl)-maleamic acid, (2Z)-3-[(3-chloro-4-methylphenyl)carbamoyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.03493 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.03493 Da |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)/C=C\C(=O)O)Cl |
| InChIKey | SNQFRXRWCMCJRX-PLNGDYQASA-N |
Chemical Property Profile of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
Property Insights of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic 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 (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid?
The CAS number of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid is 116081-44-8.
What is the molecular formula of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid?
The molecular formula of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid is C11H10ClNO3.
What is the molecular weight of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid?
The molecular weight of (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid is 239.03493 g/mol.
Where can I buy (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid?
You can request a quote for (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (Z)-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.