4-Nitro-N-methylphthalimide
TL;DR: 4-Nitro-N-methylphthalimide (CAS 41663-84-7) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitroisoindole-1,3-dione
Also Known As: N-Methyl-4-nitrophthalimide, 2-methyl-5-nitroisoindoline-1,3-dione, 4-Nitro-N-methylphthalimide, 2-methyl-5-nitroisoindole-1,3-dione, METHYLNITROPHTHALIMIDE
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 41663-84-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | JBCHWGTZAAZJKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-N-methylphthalimide (CAS 41663-84-7), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 2-methyl-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 4-Nitro-N-methylphthalimide
Property Insights of 4-Nitro-N-methylphthalimide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-N-methylphthalimide. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-N-methylphthalimide. Following Lipinski's Rule of Five, 4-Nitro-N-methylphthalimide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitro-N-methylphthalimide?
The CAS number of 4-Nitro-N-methylphthalimide is 41663-84-7.
What is the molecular formula of 4-Nitro-N-methylphthalimide?
The molecular formula of 4-Nitro-N-methylphthalimide is C9H6N2O4.
What is the molecular weight of 4-Nitro-N-methylphthalimide?
The molecular weight of 4-Nitro-N-methylphthalimide is 206.03 g/mol.
Where can I buy 4-Nitro-N-methylphthalimide?
You can request a quote for 4-Nitro-N-methylphthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-N-methylphthalimide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-N-methylphthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.