(E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid
TL;DR: (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid (CAS 929697-63-2) 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-(3,5-dichloroanilino)-4-oxobut-2-enoic acid
Also Known As: Calcium antimonate, 4-(3,5-dichloroanilino)-4-oxobut-2-enoic acid, (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid, 4-[(3,5-dichlorophenyl)amino]-4-oxo-2-butenoic acid, 4-[(3,5-dichlorophenyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C10H7Cl2NO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 2.1 |
| 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 | 296.0 |
Chemical Identifiers
| CAS Number | 929697-63-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)NC(=O)C=CC(=O)O |
| InChIKey | YDCIVHVKWOTWES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid (CAS 929697-63-2), with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol. IUPAC: 4-(3,5-dichloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid
Property Insights of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-(3,5-Dichloroanilino)-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 (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid?
The CAS number of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid is 929697-63-2.
What is the molecular formula of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid is C10H7Cl2NO3.
What is the molecular weight of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid is 258.98 g/mol.
Where can I buy (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-(3,5-Dichloroanilino)-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 (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3,5-Dichloroanilino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.