![2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione structure](/static/products/1165/116594-84-4.webp)
2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione
TL;DR: 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione (CAS 116594-84-4) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylanilino)methyl]isoindole-1,3-dione
Also Known As: BAS 00090512, 2-((o-tolylamino)methyl)isoindoline-1,3-dione, 2-{[(2-methylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione, 2-[(2-methylanilino)methyl]isoindole-1,3-dione, 2-(o-Tolylamino-methyl)-isoindole-1,3-dione
Technical Specifications
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.10553 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.10553 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | CC1=CC=CC=C1NCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | NQFGNBHSUHBBGD-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione
Property Insights of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.0 indicates that 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione 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 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione is 116594-84-4.
What is the molecular formula of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione is C16H14N2O2.
What is the molecular weight of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione is 266.10553 g/mol.
Where can I buy 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione?
Yes, CoreyChem provides custom synthesis services for 2-[[(2-Methylphenyl)amino]methyl]-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.