Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
TL;DR: Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 4561-06-2) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: 2-Ethoxycarbonyl-ethyl-phthalimide, Ethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate, Maybridge4_000014, H-ARG-LYS-OHACETATESALT, ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.2358 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 474.46765 |
Chemical Identifiers
| CAS Number | 4561-06-2 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)C2=CC=CC=C2C1=O |
Product Overview
Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 4561-06-2), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Property Insights of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
The XLogP value of 1.2358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate 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 Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The CAS number of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is 4561-06-2.
What is the molecular formula of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The molecular formula of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is C13H13NO4.
What is the molecular weight of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The molecular weight of Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is 247.08 g/mol.
Where can I buy Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
You can request a quote for Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.