2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate
TL;DR: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate (CAS 452927-49-0) 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 3-methylbenzoate
Also Known As: AB00740129-01, 2-(1,3-dioxoisoindol-2-yl)ethyl 3-methylbenzoate, 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-methylbenzoate, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate, 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl3-methylbenzoate
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 2.44802 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 762.1135 |
Chemical Identifiers
| CAS Number | 452927-49-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate (CAS 452927-49-0), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-methylbenzoate.
Chemical Property Profile of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate
Property Insights of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate
The XLogP value of 2.44802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-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-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate?
The CAS number of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate is 452927-49-0.
What is the molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate?
The molecular formula of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate is C18H15NO4.
What is the molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate?
The molecular weight of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate is 309.10 g/mol.
Where can I buy 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate?
You can request a quote for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-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-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.