2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile
TL;DR: 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile (CAS 449737-25-1) 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-(4-oxo-3-phenylchromen-7-yl)oxyacetonitrile
Also Known As: IBS_STOCK4S-39768, 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile, 2-(4-oxo-3-phenylchromen-7-yl)oxyacetonitrile, VU0510109-1, 2-(4-oxo-3-phenylchromen-7-yloxy)ethanenitrile
| 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 | 449737-25-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC#N |
Product Overview
2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile (CAS 449737-25-1), with molecular formula C17H11NO3 and molecular weight 277.07 g/mol. IUPAC: 2-(4-oxo-3-phenylchromen-7-yl)oxyacetonitrile.
Chemical Property Profile of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile
Property Insights of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile
The XLogP value of 3.36238 indicates that 2-((4-oxo-3-phenyl-4H-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-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile. Following Lipinski's Rule of Five, 2-((4-oxo-3-phenyl-4H-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-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile?
The CAS number of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile is 449737-25-1.
What is the molecular formula of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile?
The molecular formula of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile is C17H11NO3.
What is the molecular weight of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile?
The molecular weight of 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile is 277.07 g/mol.
Where can I buy 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile?
You can request a quote for 2-((4-oxo-3-phenyl-4H-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-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-oxo-3-phenyl-4H-chromen-7-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.