(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
TL;DR: (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid (CAS 1164474-12-7) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid
Also Known As: 2-(1-Oxoisoindolin-2-yl)-2-phenylacetic acid, METHYL4-AMINOCINNAMATE, 2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid, (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid, 1,3-Dihydro-1-oxo-alpha-phenyl-2H-Isoindole-2-acetic acid
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | C1C2=CC=CC=C2C(=O)N1C(C3=CC=CC=C3)C(=O)O |
| InChIKey | PNOHRUSRGMQJPS-UHFFFAOYSA-N |
Chemical Property Profile of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
Property Insights of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid. With a topological polar surface area (TPSA) of 57.6 Ų, (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid?
The CAS number of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid is 1164474-12-7.
What is the molecular formula of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid?
The molecular formula of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid is C16H13NO3.
What is the molecular weight of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid?
The molecular weight of (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid is 267.08954 g/mol.
Where can I buy (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid?
You can request a quote for (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (1-Oxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.