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(4-fluorophenyl)-methyl-[?]carbonitrile
TL;DR: (4-fluorophenyl)-methyl-[?]carbonitrile (CAS 166671-44-9) is a chemical compound with molecular formula C21H15FN4 and molecular weight 342.12808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-fluorophenyl)-7-methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile
Also Known As: (4-fluorophenyl)-methyl-[?]carbonitrile, NCI60_023014, AB00765234-01, 1-(4-Fluorophenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile, F1727-0102
Technical Specifications
| Molecular Formula | C21H15FN4 |
| Molecular Weight | 342.12808 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.12808 Da |
| Heavy Atoms | 26 |
| Complexity | 580.0 |
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=C(C=C5)F)C#N |
| InChIKey | BQKJBAPBSRNLCQ-UHFFFAOYSA-N |
Chemical Property Profile of (4-fluorophenyl)-methyl-[?]carbonitrile
Property Insights of (4-fluorophenyl)-methyl-[?]carbonitrile
The XLogP value of 5.4 indicates that (4-fluorophenyl)-methyl-[?]carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, (4-fluorophenyl)-methyl-[?]carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-fluorophenyl)-methyl-[?]carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (4-fluorophenyl)-methyl-[?]carbonitrile?
The CAS number of (4-fluorophenyl)-methyl-[?]carbonitrile is 166671-44-9.
What is the molecular formula of (4-fluorophenyl)-methyl-[?]carbonitrile?
The molecular formula of (4-fluorophenyl)-methyl-[?]carbonitrile is C21H15FN4.
What is the molecular weight of (4-fluorophenyl)-methyl-[?]carbonitrile?
The molecular weight of (4-fluorophenyl)-methyl-[?]carbonitrile is 342.12808 g/mol.
Where can I buy (4-fluorophenyl)-methyl-[?]carbonitrile?
You can request a quote for (4-fluorophenyl)-methyl-[?]carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-fluorophenyl)-methyl-[?]carbonitrile?
Yes, CoreyChem provides custom synthesis services for (4-fluorophenyl)-methyl-[?]carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.