Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate
TL;DR: Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate (CAS 75918-79-5) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-dioxoisoindol-2-yl)-2-phenylacetate
Also Known As: Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate, 3,4-dibenzoyl-1,2,5-oxadiazole-N-oxide, J1.654.910J, ethyl 2-(1,3-dioxoisoindol-2-yl)-2-phenylacetate, ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetate
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 75918-79-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | FWGHEOIWJSULEX-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate (CAS 75918-79-5), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: ethyl 2-(1,3-dioxoisoindol-2-yl)-2-phenylacetate.
Chemical Property Profile of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate
Property Insights of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate. Following Lipinski's Rule of Five, Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate 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 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate?
The CAS number of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate is 75918-79-5.
What is the molecular formula of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate?
The molecular formula of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate is C18H15NO4.
What is the molecular weight of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate?
The molecular weight of Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate is 309.10 g/mol.
Where can I buy Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate?
You can request a quote for Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.