Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate
TL;DR: Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate (CAS 50712-44-2) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate
Also Known As: Indoprofen methyl derivative, Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate, Methyl2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate, methyl 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate, methyl alpha-[p-(1-oxo-2-isoindolinyl)phenyl]propionate
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 50712-44-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)OC |
| InChIKey | QFACKQCLIVEQPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate (CAS 50712-44-2), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: methyl 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate.
Chemical Property Profile of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate
Property Insights of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate
The XLogP value of 3.1 indicates that Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate has 0 hydrogen bond donor(s) and 3 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 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate?
The CAS number of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate is 50712-44-2.
What is the molecular formula of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate?
The molecular formula of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate is C18H17NO3.
What is the molecular weight of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate?
The molecular weight of Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate is 295.12 g/mol.
Where can I buy Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate?
You can request a quote for Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.