Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate
TL;DR: Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate (CAS 40596-46-1) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-oxopropanoate
Also Known As: tert-butyl 2-formyl-2-phthalimido-acetate, tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-oxopropanoate, tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate, tert-butyl 2-(1,3-dioxoisoindolin-2-yl)-3-oxopropanoate, 2H-Isoindole-2-aceticacid, a-formyl-1,3-dihydro-1,3-dioxo-,1,1-dimethylethyl ester
| Molecular Formula | C15H15NO5 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.09503 |
| Heavy Atoms | 21 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 40596-46-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C=O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | AOUWUXDUCLLPTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate (CAS 40596-46-1), with molecular formula C15H15NO5 and molecular weight 289.10 g/mol. IUPAC: tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-oxopropanoate.
Chemical Property Profile of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate
Property Insights of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate. Following Lipinski's Rule of Five, Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate has 0 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 Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate?
The CAS number of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate is 40596-46-1.
What is the molecular formula of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate?
The molecular formula of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate is C15H15NO5.
What is the molecular weight of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate?
The molecular weight of Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate is 289.10 g/mol.
Where can I buy Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate?
You can request a quote for Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.