5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 101758-78-5) is a chemical compound with molecular formula C15H12Br2N2O4 and molecular weight 441.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9-dibromo-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 5,6-Dibromohexahydro-2-(4-nitrophenyl)-4,7-methano-1H-isoindole-1,3(2H)-dione, 8,9-dibromo-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.0<2,6>]decane-3,5-dione, 8,9-DIBROMO-4-(4-NITROPHENYL)-4-AZATRICYCLO[5.2.1.0~2,6~]DECANE-3,5-DIONE
| Molecular Formula | C15H12Br2N2O4 |
|---|---|
| Molecular Weight | 441.92 g/mol |
| LogP | 2.8771 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.91638 |
| Heavy Atoms | 23 |
| Complexity | 690.692 |
Chemical Identifiers
| CAS Number | 101758-78-5 |
|---|---|
| SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 101758-78-5), with molecular formula C15H12Br2N2O4 and molecular weight 441.92 g/mol. IUPAC: 8,9-dibromo-4-(4-nitrophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 2.8771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-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 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 101758-78-5.
What is the molecular formula of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C15H12Br2N2O4.
What is the molecular weight of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 441.92 g/mol.
Where can I buy 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-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 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dibromo-2-(4-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.