Azepan-1-yl-(4-nitrophenyl)methanimine
TL;DR: Azepan-1-yl-(4-nitrophenyl)methanimine (CAS 768348-78-3) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-nitrophenyl)methanimine
Also Known As: Azepan-1-yl-(4-nitrophenyl)methanimine, 1-(4-nitrobenzenecarboximidoyl)azepane, 1-(azepan-1-yl)-1-(4-nitrophenyl)methanimine
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 2.79617 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 434.0545 |
Chemical Identifiers
| CAS Number | 768348-78-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=N)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Azepan-1-yl-(4-nitrophenyl)methanimine (CAS 768348-78-3), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: azepan-1-yl-(4-nitrophenyl)methanimine.
Chemical Property Profile of Azepan-1-yl-(4-nitrophenyl)methanimine
Property Insights of Azepan-1-yl-(4-nitrophenyl)methanimine
The XLogP value of 2.79617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl-(4-nitrophenyl)methanimine. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Azepan-1-yl-(4-nitrophenyl)methanimine. Following Lipinski's Rule of Five, Azepan-1-yl-(4-nitrophenyl)methanimine has 1 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 Azepan-1-yl-(4-nitrophenyl)methanimine?
The CAS number of Azepan-1-yl-(4-nitrophenyl)methanimine is 768348-78-3.
What is the molecular formula of Azepan-1-yl-(4-nitrophenyl)methanimine?
The molecular formula of Azepan-1-yl-(4-nitrophenyl)methanimine is C13H17N3O2.
What is the molecular weight of Azepan-1-yl-(4-nitrophenyl)methanimine?
The molecular weight of Azepan-1-yl-(4-nitrophenyl)methanimine is 247.13 g/mol.
Where can I buy Azepan-1-yl-(4-nitrophenyl)methanimine?
You can request a quote for Azepan-1-yl-(4-nitrophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl-(4-nitrophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(4-nitrophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.