![2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile structure](/static/products/866/866156-75-4.png)
2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile
TL;DR: 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile (CAS 866156-75-4) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetonitrile
Also Known As: 2-[(3-oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile, 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetonitrile, 2-(3-oxobenzofuran-6-yl)oxyacetonitrile, 2-[(3-oxo-2H-1-benzofuran-6-yl)oxy]acetonitrile, [(3-oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.16408 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 419.86554 |
Chemical Identifiers
| CAS Number | 866156-75-4 |
|---|---|
| SMILES | C1C(=O)C2=C(O1)C=C(C=C2)OCC#N |
Product Overview
2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile (CAS 866156-75-4), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetonitrile.
Chemical Property Profile of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile
Property Insights of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile
The XLogP value of 1.16408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile. With a topological polar surface area (TPSA) of 59.32 Ų, 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-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-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile?
The CAS number of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile is 866156-75-4.
What is the molecular formula of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile?
The molecular formula of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile is C10H7NO3.
What is the molecular weight of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile?
The molecular weight of 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile is 189.04 g/mol.
Where can I buy 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile?
You can request a quote for 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-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-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Oxo-2,3-dihydro-1-benzofuran-6-yl)oxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.