2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester
TL;DR: 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester (CAS 116368-90-2) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: Acetylexidonin, Phthaloylglycin-allylester, prop-2-enyl 2-(1,3-dioxoisoindol-2-yl)acetate, Allyl 2-(1,3-dioxoisoindolin-2-yl)acetate, 2-(2H-Isoindol-2-yl)acetic 3-oxoacrylic anhydride
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.0118 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 500.5477 |
Chemical Identifiers
| CAS Number | 116368-90-2 |
|---|---|
| SMILES | C=CCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
Product Overview
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester (CAS 116368-90-2), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: prop-2-enyl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester
Property Insights of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester
The XLogP value of 1.0118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester. Following Lipinski's Rule of Five, 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester has 0 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 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester?
The CAS number of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester is 116368-90-2.
What is the molecular formula of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester?
The molecular formula of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester is C13H11NO4.
What is the molecular weight of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester?
The molecular weight of 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester is 245.07 g/mol.
Where can I buy 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester?
You can request a quote for 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.