6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile
TL;DR: 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile (CAS 130715-63-8) is a chemical compound with molecular formula C15H9NO3S and molecular weight 283.0303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(1-benzofuran-2-yl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile
Also Known As: NCI60_006779, J1.343.018G, 6-(1-benzofuran-2-yl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile, 2-Oxo-4-(methylthio)-6-(benzofuran-2-yl)-2H-pyran-3-carbonitrile, 6-(1-benzofuran-2-yl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile
Technical Specifications
| Molecular Formula | C15H9NO3S |
| Molecular Weight | 283.0303 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0303 Da |
| Heavy Atoms | 20 |
| Complexity | 543.0 |
| SMILES | CSC1=C(C(=O)OC(=C1)C2=CC3=CC=CC=C3O2)C#N |
| InChIKey | DYBANZPZJWBXCI-UHFFFAOYSA-N |
Chemical Property Profile of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile
Property Insights of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile
The XLogP value of 3.0 indicates that 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile. Following Lipinski's Rule of Five, 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile 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
What is the CAS number of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile?
The CAS number of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile is 130715-63-8.
What is the molecular formula of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile?
The molecular formula of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile is C15H9NO3S.
What is the molecular weight of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile?
The molecular weight of 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile is 283.0303 g/mol.
Where can I buy 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile?
You can request a quote for 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-BenZofuran-2-yl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.