3-Nitrophthalimide
TL;DR: 3-Nitrophthalimide (CAS 603-62-3) is a chemical compound with molecular formula C8H4N2O4 and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitroisoindole-1,3-dione
Also Known As: 3-NITROPHTHALIMIDE, nitrophthalimide, Phthalimide, 3-nitro-, null, 4-nitroisoindole-1,3-dione
| Molecular Formula | C8H4N2O4 |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0171 |
| Heavy Atoms | 14 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 603-62-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O |
| InChIKey | BONIIQYTWOPUQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophthalimide (CAS 603-62-3), with molecular formula C8H4N2O4 and molecular weight 192.02 g/mol. IUPAC: 4-nitroisoindole-1,3-dione.
Chemical Property Profile of 3-Nitrophthalimide
Property Insights of 3-Nitrophthalimide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophthalimide. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophthalimide. Following Lipinski's Rule of Five, 3-Nitrophthalimide 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
Frequently Asked Questions
What is the CAS number of 3-Nitrophthalimide?
The CAS number of 3-Nitrophthalimide is 603-62-3.
What is the molecular formula of 3-Nitrophthalimide?
The molecular formula of 3-Nitrophthalimide is C8H4N2O4.
What is the molecular weight of 3-Nitrophthalimide?
The molecular weight of 3-Nitrophthalimide is 192.02 g/mol.
Where can I buy 3-Nitrophthalimide?
You can request a quote for 3-Nitrophthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophthalimide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.