![2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid structure](/static/products/1041/104121-64-4.webp)
2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid
TL;DR: 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid (CAS 104121-64-4) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]prop-2-enoic acid
Also Known As: 2-{[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid, 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]prop-2-enoic acid, 2-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]prop-2-enoic acid
| Molecular Formula | C13H10N2O5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.05896 |
| Heavy Atoms | 20 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 104121-64-4 |
|---|---|
| SMILES | C=C(C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | IUGXFQBSSWECAG-UHFFFAOYSA-N |
Product Overview
2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid (CAS 104121-64-4), with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol. IUPAC: 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]prop-2-enoic acid.
Chemical Property Profile of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid
Property Insights of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid. Following Lipinski's Rule of Five, 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-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 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid?
The CAS number of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid is 104121-64-4.
What is the molecular formula of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid?
The molecular formula of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid is C13H10N2O5.
What is the molecular weight of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid?
The molecular weight of 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid is 274.06 g/mol.
Where can I buy 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid?
You can request a quote for 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-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 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]amino}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.