2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol
TL;DR: 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol (CAS 530130-64-4) is a chemical compound with molecular formula C19H24N2O4 and molecular weight 344.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyliminomethyl)-6-ethoxy-4-nitrophenol
Also Known As: 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol, 2-[(E)-(adamantan-1-ylimino)methyl]-6-ethoxy-4-nitrophenol, 2-ethoxy-4-nitro-6-[(E)-(tricyclo[3.3.1.1~3,7~]dec-1-ylimino)methyl]phenol, (6E)-6-[(1-adamantylamino)methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one, 6-[(1-adamantylamino)methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one
| Molecular Formula | C19H24N2O4 |
|---|---|
| Molecular Weight | 344.17 g/mol |
| LogP | 4.0868 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.1736 |
| Heavy Atoms | 25 |
| Complexity | 693.0952 |
Chemical Identifiers
| CAS Number | 530130-64-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)C=NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] |
Product Overview
2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol (CAS 530130-64-4), with molecular formula C19H24N2O4 and molecular weight 344.17 g/mol. IUPAC: 2-(1-adamantyliminomethyl)-6-ethoxy-4-nitrophenol.
Chemical Property Profile of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol
Property Insights of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol
The XLogP value of 4.0868 indicates that 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol. Following Lipinski's Rule of Five, 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol has 1 hydrogen bond donor(s) and 5 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 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol?
The CAS number of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol is 530130-64-4.
What is the molecular formula of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol?
The molecular formula of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol is C19H24N2O4.
What is the molecular weight of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol?
The molecular weight of 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol is 344.17 g/mol.
Where can I buy 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol?
You can request a quote for 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((E)-((3s,5s,7s)-adamantan-1-ylimino)methyl)-6-ethoxy-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.