4-硝基邻苯二甲酰亚胺
TL;DR: 4-硝基邻苯二甲酰亚胺 (CAS 89-40-7) 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-硝基邻苯二甲酰亚胺
5-nitroisoindole-1,3-dione
Also Known As: 4-NITROPHTHALIMIDE, 5-nitroisoindoline-1,3-dione, 5-Nitrophthalimide, Phthalimide, 4-nitro-, 4-nitrophthalimid
| Molecular Formula | C8H4N2O4 |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 1.0 |
| 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 |
| Melting Point | 356 to 182.2 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 89-40-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O |
| InChIKey | ANYWGXDASKQYAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基邻苯二甲酰亚胺 (CAS 89-40-7), with molecular formula C8H4N2O4 and molecular weight 192.02 g/mol. IUPAC: 5-nitroisoindole-1,3-dione.
Chemical Property Profile of 4-硝基邻苯二甲酰亚胺
Property Insights of 4-硝基邻苯二甲酰亚胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基邻苯二甲酰亚胺. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基邻苯二甲酰亚胺. Following Lipinski's Rule of Five, 4-硝基邻苯二甲酰亚胺 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 4-硝基邻苯二甲酰亚胺?
The CAS number of 4-硝基邻苯二甲酰亚胺 is 89-40-7.
What is the molecular formula of 4-硝基邻苯二甲酰亚胺?
The molecular formula of 4-硝基邻苯二甲酰亚胺 is C8H4N2O4.
What is the molecular weight of 4-硝基邻苯二甲酰亚胺?
The molecular weight of 4-硝基邻苯二甲酰亚胺 is 192.02 g/mol.
Where can I buy 4-硝基邻苯二甲酰亚胺?
You can request a quote for 4-硝基邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.