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2-[(2,4-Difluorophenyl)methylidene]propanedinitrile
TL;DR: 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile (CAS 414895-45-7) is a chemical compound with molecular formula C10H4F2N2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-difluorophenyl)methylidene]propanedinitrile
Also Known As: 2-[(2,4-difluorophenyl)methylidene]propanedinitrile, (2,4-Difluorobenzylidene)malononitrile, 2-(2,4-Difluorobenzylidene)propanedinitrile, J2.283.060K, Propanedinitrile, 2-[(2,4-difluorophenyl)methylene]-
| Molecular Formula | C10H4F2N2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.03426 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 414895-45-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)C=C(C#N)C#N |
| InChIKey | OPVPJJVXWIFSCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2,4-Difluorophenyl)methylidene]propanedinitrile (CAS 414895-45-7), with molecular formula C10H4F2N2 and molecular weight 190.03 g/mol. IUPAC: 2-[(2,4-difluorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile
Property Insights of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 4 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-[(2,4-Difluorophenyl)methylidene]propanedinitrile?
The CAS number of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile is 414895-45-7.
What is the molecular formula of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile is C10H4F2N2.
What is the molecular weight of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile is 190.03 g/mol.
Where can I buy 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(2,4-Difluorophenyl)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-[(2,4-Difluorophenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Difluorophenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.