2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide
TL;DR: 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide (CAS 1005262-85-0) is a chemical compound with molecular formula C17H15N3O5 and molecular weight 341.10117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-nitrophenyl)acetamide
Also Known As: 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide, 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(4-nitrophenyl)acetamide, Cambridge id 7095798
Technical Specifications
| Molecular Formula | C17H15N3O5 |
| Molecular Weight | 341.10117 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.10117 Da |
| Heavy Atoms | 25 |
| Complexity | 632.0 |
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | WBUODGPYXKUAHZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide
Property Insights of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide is 1005262-85-0.
What is the molecular formula of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide is C17H15N3O5.
What is the molecular weight of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide is 341.10117 g/mol.
Where can I buy 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.