2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate
TL;DR: 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate (CAS 441313-63-9) 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.
2-(1,3-dioxoisoindol-2-yl)ethyl 4-methylbenzoate
Also Known As: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methylbenzoate, 2-(1,3-dioxo-2-isoindolinyl)ethyl p-toluate, 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methylbenzoate, F0808-2666, 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 4-methylbenzoate
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.1 |
| 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 | 457.0 |
Chemical Identifiers
| CAS Number | 441313-63-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | AYDWXXQNEZIVNC-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate (CAS 441313-63-9), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methylbenzoate.
Chemical Property Profile of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate
Property Insights of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate
The XLogP value of 3.1 indicates that 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate. Following Lipinski's Rule of Five, 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate 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 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate?
The CAS number of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate is 441313-63-9.
What is the molecular formula of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate?
The molecular formula of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate is C18H15NO4.
What is the molecular weight of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate?
The molecular weight of 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate is 309.10 g/mol.
Where can I buy 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate?
You can request a quote for 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.