1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester
TL;DR: 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester (CAS 88460-50-8) 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.
ethyl 2-(3-oxo-2-phenyl-1H-isoindol-1-yl)acetate
Also Known As: ethyl 2-(3-oxo-2-phenyl-1H-isoindol-1-yl)acetate, 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester, ethyl (3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl)acetate, 1H-Isoindole-1-acetic acid,2,3-dihydro-3-oxo-2-phenyl-,ethyl ester
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 88460-50-8 |
|---|---|
| SMILES | CCOC(=O)CC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3 |
| InChIKey | ZERSFYQKUGDBGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester (CAS 88460-50-8), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: ethyl 2-(3-oxo-2-phenyl-1H-isoindol-1-yl)acetate.
Chemical Property Profile of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester
Property Insights of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester 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 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester?
The CAS number of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester is 88460-50-8.
What is the molecular formula of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester?
The molecular formula of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester is C18H17NO3.
What is the molecular weight of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester?
The molecular weight of 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester is 295.12 g/mol.
Where can I buy 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester?
You can request a quote for 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-2-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.