![2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile structure](/static/products/1495/149550-26-5.webp)
2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile
TL;DR: 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile (CAS 149550-26-5) is a chemical compound with molecular formula C10H4BrFN2 and molecular weight 249.9542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-bromo-4-fluorophenyl)methylidene]propanedinitrile
Also Known As: RARECHEM AL BX 0277, 2-[(3-bromo-4-fluorophenyl)methylidene]propanedinitrile, (3-bromo-4-fluorobenzylidene)propanedinitrile, 2-(3-Bromo-4-fluorobenzylidene)malononitrile, CHEMBRDG-BB 5280801
Technical Specifications
| Molecular Formula | C10H4BrFN2 |
| Molecular Weight | 249.9542 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.9542 Da |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
| SMILES | C1=CC(=C(C=C1C=C(C#N)C#N)Br)F |
| InChIKey | DFNFCGRXPLQYOH-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile
Property Insights of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile 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-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile?
The CAS number of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile is 149550-26-5.
What is the molecular formula of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile is C10H4BrFN2.
What is the molecular weight of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile is 249.9542 g/mol.
Where can I buy 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(3-Bromo-4-fluorophenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.