(2E)-2-(nitromethylidene)azepane
TL;DR: (2E)-2-(nitromethylidene)azepane (CAS 64480-12-2) 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.
(2Z)-2-(nitromethylidene)azepane
Also Known As: (2Z)-2-(nitromethylidene)azepane, 2-Nitromethylene-azepane, 2-(nitromethylidene)azepane, 2-(nitromethylene)azaperhydroepine, (2E)-2-(nitromethylidene)azepane
| 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 | 64480-12-2 |
|---|---|
| SMILES | C1CC/C(=C/[N+](=O)[O-])/NCC1 |
Product Overview
(2E)-2-(nitromethylidene)azepane (CAS 64480-12-2), with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol. IUPAC: (2Z)-2-(nitromethylidene)azepane.
Chemical Property Profile of (2E)-2-(nitromethylidene)azepane
Property Insights of (2E)-2-(nitromethylidene)azepane
The XLogP value of 1.2681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(nitromethylidene)azepane. With a topological polar surface area (TPSA) of 55.17 Ų, (2E)-2-(nitromethylidene)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(nitromethylidene)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 (2E)-2-(nitromethylidene)azepane?
The CAS number of (2E)-2-(nitromethylidene)azepane is 64480-12-2.
What is the molecular formula of (2E)-2-(nitromethylidene)azepane?
The molecular formula of (2E)-2-(nitromethylidene)azepane is C7H12N2O2.
What is the molecular weight of (2E)-2-(nitromethylidene)azepane?
The molecular weight of (2E)-2-(nitromethylidene)azepane is 156.09 g/mol.
Where can I buy (2E)-2-(nitromethylidene)azepane?
You can request a quote for (2E)-2-(nitromethylidene)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(nitromethylidene)azepane?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(nitromethylidene)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.