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Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-
TL;DR: Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- (CAS 62557-86-2) is a chemical compound with molecular formula C16H10FNO and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-fluorophenyl)prop-2-enoyl]benzonitrile
Also Known As: 4-[3-(4-fluorophenyl)prop-2-enoyl]benzonitrile, Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-, 1-(4-cyanophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
| Molecular Formula | C16H10FNO |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 3.59348 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07465 |
| Heavy Atoms | 19 |
| Complexity | 648.64343 |
Chemical Identifiers
| CAS Number | 62557-86-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)C#N)F |
Product Overview
Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- (CAS 62557-86-2), with molecular formula C16H10FNO and molecular weight 251.07 g/mol. IUPAC: 4-[3-(4-fluorophenyl)prop-2-enoyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-
Property Insights of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-
The XLogP value of 3.59348 indicates that Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- 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 Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-?
The CAS number of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- is 62557-86-2.
What is the molecular formula of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-?
The molecular formula of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- is C16H10FNO.
What is the molecular weight of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-?
The molecular weight of Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- is 251.07 g/mol.
Where can I buy Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-?
You can request a quote for Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxo-2-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.