4-(Azepan-1-yliminomethyl)-2-ethoxyphenol
TL;DR: 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol (CAS 16987-34-1) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yliminomethyl)-2-ethoxyphenol
Also Known As: NCIOpen2_004770, (4Z)-4-[(azepan-1-ylamino)methylidene]-2-ethoxycyclohexa-2,5
| Molecular Formula | C15H22N2O2 |
|---|---|
| Molecular Weight | 262.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.16812 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 16987-34-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NN2CCCCCC2)O |
| InChIKey | WOMSRBXIMSGNEO-UHFFFAOYSA-N |
Product Overview
4-(Azepan-1-yliminomethyl)-2-ethoxyphenol (CAS 16987-34-1), with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol. IUPAC: 4-(azepan-1-yliminomethyl)-2-ethoxyphenol.
Chemical Property Profile of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol
Property Insights of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol
The XLogP value of 3.3 indicates that 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.1 Ų, 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol has 1 hydrogen bond donor(s) and 4 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 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol?
The CAS number of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol is 16987-34-1.
What is the molecular formula of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol?
The molecular formula of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol is C15H22N2O2.
What is the molecular weight of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol?
The molecular weight of 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol is 262.17 g/mol.
Where can I buy 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol?
You can request a quote for 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yliminomethyl)-2-ethoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.