![(E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid structure](/static/products/843/84324-16-3.png)
(E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid
TL;DR: (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid (CAS 84324-16-3) is a chemical compound with molecular formula C12H8N2O5 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: TimTec1_001875, BAS 00632144, 4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoic acid, 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid, (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid
| Molecular Formula | C12H8N2O5 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.04333 |
| Heavy Atoms | 19 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 84324-16-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C=CC(=O)O |
| InChIKey | WRVJSYIFBDBZJF-UHFFFAOYSA-N |
Product Overview
(E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid (CAS 84324-16-3), with molecular formula C12H8N2O5 and molecular weight 260.04 g/mol. IUPAC: 4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid
Property Insights of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic 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 (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid?
The CAS number of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid is 84324-16-3.
What is the molecular formula of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid is C12H8N2O5.
What is the molecular weight of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid is 260.04 g/mol.
Where can I buy (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-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-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)amino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.