2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid
TL;DR: 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid (CAS 881041-36-7) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(dimethylamino)phenyl]methyl]-3-oxo-1H-isoindole-4-carboxylic acid
Also Known As: 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid, 2-[4-(DIMETHYLAMINO)BENZYL]-3-OXO-4-ISOINDOLINECARBOXYLIC ACID, 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylicacid, 2-[(4-dimethylaminophenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic Acid, 2-[[4-(dimethylamino)phenyl]methyl]-3-oxo-1H-isoindole-4-carboxylic acid
Technical Specifications
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.13174 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.13174 Da |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
| SMILES | CN(C)C1=CC=C(C=C1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)O |
| InChIKey | JWIRTLQHSPOKTL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid
Property Insights of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-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 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid?
The CAS number of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid is 881041-36-7.
What is the molecular formula of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid?
The molecular formula of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid is C18H18N2O3.
What is the molecular weight of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid?
The molecular weight of 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid is 310.13174 g/mol.
Where can I buy 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid?
You can request a quote for 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-(Dimethylamino)benzyl)-3-oxoisoindoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.