![2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile structure](/static/products/869/869079-64-1.png)
2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile
TL;DR: 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile (CAS 869079-64-1) is a chemical compound with molecular formula C17H11NO3 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-3-phenylchromen-7-yl)oxyacetonitrile
Also Known As: (3-phenyl-7-coumarinyloxy)acetonitrile, 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile, 2-(2-oxo-3-phenylchromen-7-yl)oxyacetonitrile, 2-(2-oxo-3-phenylchromen-7-yloxy)ethanenitrile, 2-((2-oxo-3-phenyl-2H-chromen-7-yl)oxy)acetonitrile
| Molecular Formula | C17H11NO3 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 3.36238 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.07388 |
| Heavy Atoms | 21 |
| Complexity | 875.9161 |
Chemical Identifiers
| CAS Number | 869079-64-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OCC#N)OC2=O |
Product Overview
2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile (CAS 869079-64-1), with molecular formula C17H11NO3 and molecular weight 277.07 g/mol. IUPAC: 2-(2-oxo-3-phenylchromen-7-yl)oxyacetonitrile.
Chemical Property Profile of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile
Property Insights of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile
The XLogP value of 3.36238 indicates that 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile. Following Lipinski's Rule of Five, 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile has 0 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-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile?
The CAS number of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile is 869079-64-1.
What is the molecular formula of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile?
The molecular formula of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile is C17H11NO3.
What is the molecular weight of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile?
The molecular weight of 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile is 277.07 g/mol.
Where can I buy 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile?
You can request a quote for 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.