(E)-2-(nitromethylene)azepane
TL;DR: (E)-2-(nitromethylene)azepane (CAS 61018-99-3) is a chemical compound with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(nitromethylidene)azepane
Also Known As: (E)-2-(nitromethylene)azepane, (2E)-2-(nitromethylidene)azepane, 2-(2-nitro-methylene)hexahydroazepine, 2-[1-Nitro-meth-(E)-ylidene]-azepane, BAS 00380872
| Molecular Formula | C7H12N2O2 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 1.2681 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.08987 |
| Heavy Atoms | 11 |
| Complexity | 167.27939 |
Chemical Identifiers
| CAS Number | 61018-99-3 |
|---|---|
| SMILES | C1CC/C(=C\[N+](=O)[O-])/NCC1 |
Product Overview
(E)-2-(nitromethylene)azepane (CAS 61018-99-3), with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol. IUPAC: (2E)-2-(nitromethylidene)azepane.
Chemical Property Profile of (E)-2-(nitromethylene)azepane
Property Insights of (E)-2-(nitromethylene)azepane
The XLogP value of 1.2681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(nitromethylene)azepane. With a topological polar surface area (TPSA) of 55.17 Ų, (E)-2-(nitromethylene)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(nitromethylene)azepane 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 (E)-2-(nitromethylene)azepane?
The CAS number of (E)-2-(nitromethylene)azepane is 61018-99-3.
What is the molecular formula of (E)-2-(nitromethylene)azepane?
The molecular formula of (E)-2-(nitromethylene)azepane is C7H12N2O2.
What is the molecular weight of (E)-2-(nitromethylene)azepane?
The molecular weight of (E)-2-(nitromethylene)azepane is 156.09 g/mol.
Where can I buy (E)-2-(nitromethylene)azepane?
You can request a quote for (E)-2-(nitromethylene)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(nitromethylene)azepane?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(nitromethylene)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.