1-(2-Nitrobenzoyl)azepane
TL;DR: 1-(2-Nitrobenzoyl)azepane (CAS 153688-70-1) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azepan-1-yl-(2-nitrophenyl)methanone
Also Known As: 1-(2-nitrobenzoyl)azepane, azepan-1-yl(2-nitrophenyl)methanone, azaperhydroepinyl 2-nitrophenyl ketone, azepan-1-yl-(2-nitrophenyl)methanone, Azepan-1-yl-(2-nitro-phenyl)-methanone
Technical Specifications
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.11609 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.11609 Da |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
| SMILES | C1CCCN(CC1)C(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | GPWWPUJHEXVVNL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Nitrobenzoyl)azepane
Property Insights of 1-(2-Nitrobenzoyl)azepane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitrobenzoyl)azepane. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitrobenzoyl)azepane. Following Lipinski's Rule of Five, 1-(2-Nitrobenzoyl)azepane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-Nitrobenzoyl)azepane?
The CAS number of 1-(2-Nitrobenzoyl)azepane is 153688-70-1.
What is the molecular formula of 1-(2-Nitrobenzoyl)azepane?
The molecular formula of 1-(2-Nitrobenzoyl)azepane is C13H16N2O3.
What is the molecular weight of 1-(2-Nitrobenzoyl)azepane?
The molecular weight of 1-(2-Nitrobenzoyl)azepane is 248.11609 g/mol.
Where can I buy 1-(2-Nitrobenzoyl)azepane?
You can request a quote for 1-(2-Nitrobenzoyl)azepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Nitrobenzoyl)azepane?
Yes, CoreyChem provides custom synthesis services for 1-(2-Nitrobenzoyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.