Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate
TL;DR: Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate (CAS 13855-80-6) is a chemical compound with molecular formula C14H13NO5 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-dioxoisoindol-2-yl)-3-oxobutanoate
Also Known As: ETHYL 4-(1,3-DIOXOISOINDOLIN-2-YL)-3-OXOBUTANOATE, ethyl 4-phthalimidoacetoacetate, ethyl-4-(phthalimido)-3-oxobutanoate, ethyl 4-(1,3-dioxoisoindol-2-yl)-3-oxobutanoate, 4-Phthalimidoacetoacetic Acid Ethyl Ester
| Molecular Formula | C14H13NO5 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.07938 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 13855-80-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | CWDUXGINCDZFAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate (CAS 13855-80-6), with molecular formula C14H13NO5 and molecular weight 275.08 g/mol. IUPAC: ethyl 4-(1,3-dioxoisoindol-2-yl)-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate
Property Insights of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate 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 Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate?
The CAS number of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate is 13855-80-6.
What is the molecular formula of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate?
The molecular formula of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate is C14H13NO5.
What is the molecular weight of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate?
The molecular weight of Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate is 275.08 g/mol.
Where can I buy Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate?
You can request a quote for Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(1,3-dioxoisoindolin-2-YL)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.