2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile
TL;DR: 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile (CAS 139266-48-1) is a chemical compound with molecular formula C12H6BrNO2 and molecular weight 274.9582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile
Also Known As: (2E)-2-(4-bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile
Technical Specifications
| Molecular Formula | C12H6BrNO2 |
| Molecular Weight | 274.9582 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.9582 Da |
| Heavy Atoms | 16 |
| Complexity | 422.0 |
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C(=CC#N)O2)Br |
| InChIKey | MEZKPDPELGTQJO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile
Property Insights of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile?
The CAS number of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile is 139266-48-1.
What is the molecular formula of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile?
The molecular formula of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile is C12H6BrNO2.
What is the molecular weight of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile?
The molecular weight of 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile is 274.9582 g/mol.
Where can I buy 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile?
You can request a quote for 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Bromo-3-oxo-5-phenylfuran-2-ylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.