Diethyl phthalimidomalonate
TL;DR: Diethyl phthalimidomalonate (CAS 5680-61-5) is a chemical compound with molecular formula C15H15NO6 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate
Also Known As: Diethyl phthalimidomalonate, Diethyl 2-phthalimidomalonate, Ethyl phthalimidomalonate, Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate, DiethylPhthalimidomalonate
| Molecular Formula | C15H15NO6 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.08994 |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 5680-61-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | SZNGBHWKVWEBKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl phthalimidomalonate (CAS 5680-61-5), with molecular formula C15H15NO6 and molecular weight 305.09 g/mol. IUPAC: diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate.
Chemical Property Profile of Diethyl phthalimidomalonate
Property Insights of Diethyl phthalimidomalonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl phthalimidomalonate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl phthalimidomalonate. Following Lipinski's Rule of Five, Diethyl phthalimidomalonate has 0 hydrogen bond donor(s) and 6 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 Diethyl phthalimidomalonate?
The CAS number of Diethyl phthalimidomalonate is 5680-61-5.
What is the molecular formula of Diethyl phthalimidomalonate?
The molecular formula of Diethyl phthalimidomalonate is C15H15NO6.
What is the molecular weight of Diethyl phthalimidomalonate?
The molecular weight of Diethyl phthalimidomalonate is 305.09 g/mol.
Where can I buy Diethyl phthalimidomalonate?
You can request a quote for Diethyl phthalimidomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl phthalimidomalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl phthalimidomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.