![2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile structure](/static/products/7715/771575-79-2.webp)
2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile
TL;DR: 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile (CAS 771575-79-2) is a chemical compound with molecular formula C10H4BrFN2 and molecular weight 249.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-2-fluorophenyl)methylidene]propanedinitrile
Also Known As: 2-[(5-bromo-2-fluorophenyl)methylidene]propanedinitrile, (5-bromo-2-fluorobenzylidene)propanedinitrile, 2-(5-Bromo-2-fluorobenzylidene)malononitrile, F6782-3639
| Molecular Formula | C10H4BrFN2 |
|---|---|
| Molecular Weight | 249.95 g/mol |
| LogP | 3.01876 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.9542 |
| Heavy Atoms | 14 |
| Complexity | 449.99084 |
Chemical Identifiers
| CAS Number | 771575-79-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C=C(C#N)C#N)F |
Product Overview
2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile (CAS 771575-79-2), with molecular formula C10H4BrFN2 and molecular weight 249.95 g/mol. IUPAC: 2-[(5-bromo-2-fluorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile
Property Insights of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile
The XLogP value of 3.01876 indicates that 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 2 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-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile?
The CAS number of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile is 771575-79-2.
What is the molecular formula of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile is C10H4BrFN2.
What is the molecular weight of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile is 249.95 g/mol.
Where can I buy 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Bromo-2-fluorophenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.