![2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile structure](/static/products/6785/678558-66-2.webp)
2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
TL;DR: 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile (CAS 678558-66-2) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
Also Known As: 2-[[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile, 2-{[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile
| Molecular Formula | C17H16BrNO3 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 3.79078 |
| Topological Polar Surface Area | 62.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.03137 |
| Heavy Atoms | 22 |
| Complexity | 694.78876 |
Chemical Identifiers
| CAS Number | 678558-66-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)CO)Br)OCC2=CC=CC=C2C#N |
Product Overview
2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile (CAS 678558-66-2), with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol. IUPAC: 2-[[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
Property Insights of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
The XLogP value of 3.79078 indicates that 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile. Following Lipinski's Rule of Five, 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile 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 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile?
The CAS number of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile is 678558-66-2.
What is the molecular formula of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile?
The molecular formula of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile is C17H16BrNO3.
What is the molecular weight of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile?
The molecular weight of 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile is 361.03 g/mol.
Where can I buy 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile?
You can request a quote for 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.