![(E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid structure](/static/products/1164/1164534-06-8.webp)
(E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid
TL;DR: (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid (CAS 1164534-06-8) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-carbamoylanilino)-4-oxobut-2-enoic acid
Also Known As: NCIOpen2_007071, 4-(2-carbamoylanilino)-4-oxobut-2-enoic acid, 4-[(2-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid, 4-{[2-(aminocarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 1164534-06-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N)NC(=O)C=CC(=O)O |
| InChIKey | NTPWWHIACBVFJR-UHFFFAOYSA-N |
Product Overview
(E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid (CAS 1164534-06-8), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: 4-(2-carbamoylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid
Property Insights of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid has 3 hydrogen bond donor(s) and 4 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-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid?
The CAS number of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid is 1164534-06-8.
What is the molecular formula of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid is C11H10N2O4.
What is the molecular weight of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid is 234.06 g/mol.
Where can I buy (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-[2-(Aminocarbonyl)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-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[2-(Aminocarbonyl)anilino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.