![(2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid structure](/static/products/1164/1164534-16-0.webp)
(2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
TL;DR: (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid (CAS 1164534-16-0) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid
Also Known As: (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid, IDI1_017208, (E)-4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid, (2E)-3-{[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}PROP-2-ENOIC ACID, (E)-4-(2-methoxycarbonylanilino)-4-oxo-but-2-enoic acid
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 1164534-16-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C=C/C(=O)O |
| InChIKey | DAPLTIRLFKBRQA-VOTSOKGWSA-N |
Product Overview
(2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid (CAS 1164534-16-0), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: (E)-4-(2-methoxycarbonylanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
Property Insights of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 5 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 (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid is 1164534-16-0.
What is the molecular formula of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid is C12H11NO5.
What is the molecular weight of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid is 249.06 g/mol.
Where can I buy (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-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 (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-{[2-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.