![4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid structure](/static/products/6183/61832-97-1.webp)
4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid
TL;DR: 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid (CAS 61832-97-1) is a chemical compound with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dichloroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(2,3-dichloroanilino)-4-oxobut-2-enoic acid, N-(2,3-DICHLOROPHENYL)MALEAMIC ACID, 4-[(2,3-dichlorophenyl)amino]-4-oxo-2-butenoic acid, 2-Butenoic acid,4-[(2,3-dichlorophenyl)amino]-4-oxo-, 2-Butenoic acid, 4-[(2,3-dichlorophenyl)amino]-4-oxo-
| Molecular Formula | C10H7Cl2NO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9803 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 61832-97-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C=CC(=O)O |
| InChIKey | RUGLHUNECPZYDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid (CAS 61832-97-1), with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol. IUPAC: 4-(2,3-dichloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid
Property Insights of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-[(2,3-Dichlorophenyl)amino]-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
Frequently Asked Questions
What is the CAS number of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid?
The CAS number of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid is 61832-97-1.
What is the molecular formula of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid?
The molecular formula of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid is C10H7Cl2NO3.
What is the molecular weight of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid?
The molecular weight of 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid is 258.98 g/mol.
Where can I buy 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid?
You can request a quote for 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,3-Dichlorophenyl)amino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.