4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione (CAS 39985-86-9) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione, N-(4-Nitrophenyl)-3,4,5,6-tetrahydrophthalimide, 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(4-nitrophenyl)-, 2-(4-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-(4-nitrophenyl)-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.3386 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 617.6427 |
Chemical Identifiers
| CAS Number | 39985-86-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione (CAS 39985-86-9), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 2-(4-nitrophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.3386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione 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 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione is 39985-86-9.
What is the molecular formula of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione is C14H12N2O4.
What is the molecular weight of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione is 272.08 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.