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[3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
TL;DR: [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile (CAS 675857-35-9) is a chemical compound with molecular formula C14H12FN3 and molecular weight 241.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
Also Known As: BAS 06052974, [3-fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile, 2-(3-Fluoro-4-pyrrolidin-1-yl-benzylidene)-malononitrile, [(3-fluoro-4-pyrrolidinylphenyl)methylene]methane-1,1-dicarbonitrile, 2-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
| Molecular Formula | C14H12FN3 |
|---|---|
| Molecular Weight | 241.10 g/mol |
| LogP | 2.85646 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.10153 |
| Heavy Atoms | 18 |
| Complexity | 541.3823 |
Chemical Identifiers
| CAS Number | 675857-35-9 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C=C(C#N)C#N)F |
Product Overview
[3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile (CAS 675857-35-9), with molecular formula C14H12FN3 and molecular weight 241.10 g/mol. IUPAC: 2-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
Property Insights of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile
The XLogP value of 2.85646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]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
Frequently Asked Questions
What is the CAS number of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
The CAS number of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile is 675857-35-9.
What is the molecular formula of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
The molecular formula of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile is C14H12FN3.
What is the molecular weight of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
The molecular weight of [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile is 241.10 g/mol.
Where can I buy [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
You can request a quote for [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [3-Fluoro-4-(pyrrolidin-1-yl)benzylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.