![3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile structure](/static/products/3384/338420-87-4.webp)
3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile
TL;DR: 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile (CAS 338420-87-4) is a chemical compound with molecular formula C23H15FN2O and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile
Also Known As: Bionet1_001503, 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile, 3-({[(2E)-4-fluoro-3-oxo-1-phenyl-2,3-dihydro-1H-inden-2-ylidene]methyl}amino)benzonitrile, 3-{[(4-fluoro-3-oxo-1-phenyl-1,3-dihydro-2H-inden-2-yliden)methyl]amino}benzenecarbonitrile
| Molecular Formula | C23H15FN2O |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 5.02158 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.11685 |
| Heavy Atoms | 27 |
| Complexity | 1096.8612 |
Chemical Identifiers
| CAS Number | 338420-87-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C(=CC=C3)F)C(=O)C2=CNC4=CC=CC(=C4)C#N |
Product Overview
3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile (CAS 338420-87-4), with molecular formula C23H15FN2O and molecular weight 354.12 g/mol. IUPAC: 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile.
Chemical Property Profile of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile
Property Insights of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile
The XLogP value of 5.02158 indicates that 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile?
The CAS number of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile is 338420-87-4.
What is the molecular formula of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile?
The molecular formula of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile is C23H15FN2O.
What is the molecular weight of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile?
The molecular weight of 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile is 354.12 g/mol.
Where can I buy 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile?
You can request a quote for 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene)methylamino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.