2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid
TL;DR: 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid (CAS 4546-74-1) is a chemical compound with molecular formula C11H7NO5 and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-3-oxopropanoic acid
Also Known As: Cyclohexaneglycolic acid, formyl N-phthaloyl glycine, 2-(1,3-dioxoisoindol-2-yl)-3-oxopropanoic acid, 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid, 2H-Isoindole-2-aceticacid, a-formyl-1,3-dihydro-1,3-dioxo-
| Molecular Formula | C11H7NO5 |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.03242 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 4546-74-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C(C=O)C(=O)O |
| InChIKey | KJWAGVXZSPFBEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid (CAS 4546-74-1), with molecular formula C11H7NO5 and molecular weight 233.03 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-oxopropanoic acid.
Chemical Property Profile of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid
Property Insights of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid has 1 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)-3-oxopropanoic acid?
The CAS number of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid is 4546-74-1.
What is the molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid?
The molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid is C11H7NO5.
What is the molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid?
The molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid is 233.03 g/mol.
Where can I buy 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid?
You can request a quote for 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic 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)-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.