2-(4-Fluorophenyl)-3-oxobutyronitrile
TL;DR: 2-(4-Fluorophenyl)-3-oxobutyronitrile (CAS 447-03-0) is a chemical compound with molecular formula C10H8FNO and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-3-oxobutanenitrile
Also Known As: 2-(4-fluorophenyl)-3-oxobutanenitrile, 2-(4-Fluorophenyl)-3-oxobutyronitrile, EINECS 207-178-0, 2-(4-fluorophenyl)acetoacetonitrile, 2- -3-OXOBUTYRONITRILE
| Molecular Formula | C10H8FNO |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.02188 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.05899 |
| Heavy Atoms | 13 |
| Complexity | 350.18265 |
Chemical Identifiers
| CAS Number | 447-03-0 |
|---|---|
| SMILES | CC(=O)C(C#N)C1=CC=C(C=C1)F |
Product Overview
2-(4-Fluorophenyl)-3-oxobutyronitrile (CAS 447-03-0), with molecular formula C10H8FNO and molecular weight 177.06 g/mol. IUPAC: 2-(4-fluorophenyl)-3-oxobutanenitrile.
Chemical Property Profile of 2-(4-Fluorophenyl)-3-oxobutyronitrile
Property Insights of 2-(4-Fluorophenyl)-3-oxobutyronitrile
The XLogP value of 2.02188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-3-oxobutyronitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(4-Fluorophenyl)-3-oxobutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-3-oxobutyronitrile 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 2-(4-Fluorophenyl)-3-oxobutyronitrile?
The CAS number of 2-(4-Fluorophenyl)-3-oxobutyronitrile is 447-03-0.
What is the molecular formula of 2-(4-Fluorophenyl)-3-oxobutyronitrile?
The molecular formula of 2-(4-Fluorophenyl)-3-oxobutyronitrile is C10H8FNO.
What is the molecular weight of 2-(4-Fluorophenyl)-3-oxobutyronitrile?
The molecular weight of 2-(4-Fluorophenyl)-3-oxobutyronitrile is 177.06 g/mol.
Where can I buy 2-(4-Fluorophenyl)-3-oxobutyronitrile?
You can request a quote for 2-(4-Fluorophenyl)-3-oxobutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-3-oxobutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-3-oxobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.