3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid
TL;DR: 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid (CAS 842974-44-1) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxylic acid
Also Known As: 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid, ZERO/005360, 3-Oxo-2-pyridin-4-ylmethyl-2,3-dihydro-1H-isoindole-4-carboxylic acid, 3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxylic acid, BAS 11143476
Technical Specifications
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.08478 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08478 Da |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
| SMILES | C1C2=C(C(=CC=C2)C(=O)O)C(=O)N1CC3=CC=NC=C3 |
| InChIKey | SFOCWDRPXPSPLJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid
Property Insights of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid?
The CAS number of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid is 842974-44-1.
What is the molecular formula of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid?
The molecular formula of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid is C15H12N2O3.
What is the molecular weight of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid?
The molecular weight of 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid is 268.08478 g/mol.
Where can I buy 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid?
You can request a quote for 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.