4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid (CAS 21395-61-9) 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-(3,4-dichloroanilino)-4-oxobut-2-enoic acid
Also Known As: IFLab1_004909, 4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid, (2E)-4-[(3,4-dichlorophenyl)amino]-4-oxobut-2-enoic acid, N-(3 pound not4-Dichlorophenyl)maleamic acid, 4-(3,4-Dichloroanilino)-4-oxo-2-butenoic acid
| Molecular Formula | C10H7Cl2NO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 3.0 |
| 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 | 21395-61-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)C=CC(=O)O)Cl)Cl |
| InChIKey | YMYKNYVBUCMJOG-UHFFFAOYSA-N |
Product Overview
4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid (CAS 21395-61-9), with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol. IUPAC: 4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid
The XLogP value of 3.0 indicates that 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(3,4-Dichloroanilino)-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
Frequently Asked Questions
What is the CAS number of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid is 21395-61-9.
What is the molecular formula of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid is C10H7Cl2NO3.
What is the molecular weight of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid is 258.98 g/mol.
Where can I buy 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dichloroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.