(E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid
TL;DR: (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid (CAS 1081849-32-2) is a chemical compound with molecular formula C10H6Cl3NO3 and molecular weight 292.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(2,4,5-trichloroanilino)but-2-enoic acid
Also Known As: (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid, (E)-4-oxo-4-(2,4,5-trichloroanilino)but-2-enoic acid, N-(2,4,5-trichloro-phenyl)-maleamic acid, 1-tert-butyl-azetidine-2-carboxylic acid amide, Maleanilic acid,2',4',5'-trichloro- (6CI,8CI)
| Molecular Formula | C10H6Cl3NO3 |
|---|---|
| Molecular Weight | 292.94 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.9413 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 1081849-32-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)/C=C/C(=O)O |
| InChIKey | DSSMWFQGSGULFH-OWOJBTEDSA-N |
Product Overview
(E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid (CAS 1081849-32-2), with molecular formula C10H6Cl3NO3 and molecular weight 292.94 g/mol. IUPAC: (E)-4-oxo-4-(2,4,5-trichloroanilino)but-2-enoic acid.
Chemical Property Profile of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid
Property Insights of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-oxo-4-(2,4,5-trichloroanilino)-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-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid?
The CAS number of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid is 1081849-32-2.
What is the molecular formula of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid?
The molecular formula of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid is C10H6Cl3NO3.
What is the molecular weight of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid?
The molecular weight of (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid is 292.94 g/mol.
Where can I buy (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid?
You can request a quote for (E)-4-oxo-4-(2,4,5-trichloroanilino)-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-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.