Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate
TL;DR: Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate (CAS 113459-58-8) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzoate
Also Known As: methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate, methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzoate, Methyl 4-(2-Phthalimidoethyloxy)benzoate, methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]benzoate, N-[2-(4-Methoxycarbonylphenoxy)ethyl]phthalimide
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.1482 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 762.31134 |
Chemical Identifiers
| CAS Number | 113459-58-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate (CAS 113459-58-8), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzoate.
Chemical Property Profile of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate
Property Insights of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate
The XLogP value of 2.1482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate?
The CAS number of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate is 113459-58-8.
What is the molecular formula of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate?
The molecular formula of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate is C18H15NO5.
What is the molecular weight of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate?
The molecular weight of Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate is 325.10 g/mol.
Where can I buy Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate?
You can request a quote for Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.