4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione
TL;DR: 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione (CAS 108837-69-0) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methylanilino)methyl]-4-nitroisoindole-1,3-dione
Also Known As: BAS 00225241, 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione, 4-Nitro-2-((p-tolylamino)methyl)isoindoline-1,3-dione, 2-[(4-methylanilino)methyl]-4-nitroisoindole-1,3-dione, 2-{[(4-methylphenyl)amino]methyl}-4-nitrobenzo[c]azoline-1,3-dione
Technical Specifications
| Molecular Formula | C16H13N3O4 |
| Molecular Weight | 311.0906 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0906 Da |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
| SMILES | CC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
| InChIKey | SSHOPOZEWKCBKM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione
Property Insights of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione. Following Lipinski's Rule of Five, 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione?
The CAS number of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione is 108837-69-0.
What is the molecular formula of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione?
The molecular formula of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione is C16H13N3O4.
What is the molecular weight of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione?
The molecular weight of 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione is 311.0906 g/mol.
Where can I buy 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione?
You can request a quote for 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-2-(p-tolylamino-methyl)-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.