![(2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid structure](/static/products/1316/13161-99-4.webp)
(2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid
TL;DR: (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid (CAS 13161-99-4) 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-[3-(3-carboxyprop-2-enoylamino)anilino]-4-oxobut-2-enoic acid
Also Known As: 2-Butenoic acid, 4,4'-(1,3-phenylenediimino)bis[4-oxo-, (2Z,2'Z)-, (Z)-4,4'-(1,3-phenylenediimino)bis[4-oxoisocrotonic] acid, 3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acid, 4,4'-[1,3-phenylenedi(imino)]bis(4-oxo-2-butenoic acid), (2Z,2'Z)-4,4'-(1,3-Phenylenebis(azanediyl))bis(4-oxobut-2-enoic acid)
| Molecular Formula | C14H12N2O6 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 0.0 |
| 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 | 467.0 |
Chemical Identifiers
| CAS Number | 13161-99-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O |
| InChIKey | SKDIMRRKRVTENP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid (CAS 13161-99-4), with molecular formula C14H12N2O6 and molecular weight 304.07 g/mol. IUPAC: 4-[3-(3-carboxyprop-2-enoylamino)anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid
Property Insights of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]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 (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid?
The CAS number of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid is 13161-99-4.
What is the molecular formula of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid?
The molecular formula of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid is C14H12N2O6.
What is the molecular weight of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid?
The molecular weight of (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid is 304.07 g/mol.
Where can I buy (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid?
You can request a quote for (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]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 (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.