![(E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid structure](/static/products/3684/36847-97-9.webp)
(E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid
TL;DR: (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid (CAS 36847-97-9) is a chemical compound with molecular formula C14H12N2O6 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-carboxyprop-2-enoylamino)anilino]-4-oxobut-2-enoic acid
Also Known As: 3-[2-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acid, 4,4'-[1,2-phenylenedi(imino)]bis(4-oxo-2-butenoic acid), 4-[2-[(4-hydroxy-4-oxobut-2-enoyl)amino]anilino]-4-oxobut-2-enoic acid, (2E)-3-({2-[(2E)-3-carboxyprop-2-enamido]phenyl}carbamoyl)prop-2-enoic acid, (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid
| Molecular Formula | C14H12N2O6 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.06955 |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 36847-97-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O |
| InChIKey | BUZUJIODQZZMDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid (CAS 36847-97-9), with molecular formula C14H12N2O6 and molecular weight 304.07 g/mol. IUPAC: 4-[2-(3-carboxyprop-2-enoylamino)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid
Property Insights of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid
The XLogP value of -0.2 indicates that (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid has 4 hydrogen bond donor(s) and 6 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-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid?
The CAS number of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid is 36847-97-9.
What is the molecular formula of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid is C14H12N2O6.
What is the molecular weight of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid is 304.07 g/mol.
Where can I buy (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-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-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-{[(E)-4-Hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.