2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005281-27-5) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.43872 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 686.0974 |
Chemical Identifiers
| CAS Number | 1005281-27-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C4)C3C2=O)[N+](=O)[O-] |
Product Overview
2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005281-27-5), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 4-(4-methyl-3-nitrophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 2.43872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methyl-3-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 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-methyl-3-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 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1005281-27-5.
What is the molecular formula of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C16H16N2O4.
What is the molecular weight of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 300.11 g/mol.
Where can I buy 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-(4-methyl-3-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 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.