![2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile structure](/static/products/898/898447-81-9.png)
2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile
TL;DR: 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile (CAS 898447-81-9) is a chemical compound with molecular formula C20H13NO4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetonitrile
Also Known As: 2-{[4-(1-benzofuran-2-yl)-7-methyl-2-oxo-2H-chromen-6-yl]oxy}acetonitrile, F2655-0385, 2-(4-benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile, 2-[4-(1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetonitrile, {[4-(1-benzofuran-2-yl)-7-methyl-2-oxo-2H-chromen-6-yl]oxy}acetonitrile
| Molecular Formula | C20H13NO4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 4.417 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.08447 |
| Heavy Atoms | 25 |
| Complexity | 1160.9834 |
Chemical Identifiers
| CAS Number | 898447-81-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1OCC#N)C(=CC(=O)O2)C3=CC4=CC=CC=C4O3 |
Product Overview
2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile (CAS 898447-81-9), with molecular formula C20H13NO4 and molecular weight 331.08 g/mol. IUPAC: 2-[4-(1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetonitrile.
Chemical Property Profile of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile
Property Insights of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile
The XLogP value of 4.417 indicates that 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile. Following Lipinski's Rule of Five, 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile has 0 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-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile?
The CAS number of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile is 898447-81-9.
What is the molecular formula of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile?
The molecular formula of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile is C20H13NO4.
What is the molecular weight of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile?
The molecular weight of 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile is 331.08 g/mol.
Where can I buy 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile?
You can request a quote for 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzo[d]furan-2-yl-7-methyl-2-oxochromen-6-yloxy)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.