1-(2-Nitrophenyl)azepane
TL;DR: 1-(2-Nitrophenyl)azepane (CAS 40832-88-0) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)azepane
Also Known As: 1-(2-nitrophenyl)azepane, 4-Amino-2-pyridone, 1-(2-NITRO-PHENYL)-AZEPANE, 1- -AZEPANE, 1-(2-Nitrophenyl)hexahydro-1H-azepine
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 2.9752 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 371.03644 |
Chemical Identifiers
| CAS Number | 40832-88-0 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-(2-Nitrophenyl)azepane (CAS 40832-88-0), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 1-(2-nitrophenyl)azepane.
Chemical Property Profile of 1-(2-Nitrophenyl)azepane
Property Insights of 1-(2-Nitrophenyl)azepane
The XLogP value of 2.9752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitrophenyl)azepane. With a topological polar surface area (TPSA) of 46.38 Ų, 1-(2-Nitrophenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Nitrophenyl)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
Frequently Asked Questions
What is the CAS number of 1-(2-Nitrophenyl)azepane?
The CAS number of 1-(2-Nitrophenyl)azepane is 40832-88-0.
What is the molecular formula of 1-(2-Nitrophenyl)azepane?
The molecular formula of 1-(2-Nitrophenyl)azepane is C12H16N2O2.
What is the molecular weight of 1-(2-Nitrophenyl)azepane?
The molecular weight of 1-(2-Nitrophenyl)azepane is 220.12 g/mol.
Where can I buy 1-(2-Nitrophenyl)azepane?
You can request a quote for 1-(2-Nitrophenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitrophenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitrophenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.