2-Propenenitrile, 3-(4-fluorophenyl)-
TL;DR: 2-Propenenitrile, 3-(4-fluorophenyl)- (CAS 7182-77-6) is a chemical compound with molecular formula C9H6FN and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)prop-2-enenitrile
Also Known As: 4-Fluorocinnamonitrile, 4-Fluorofinnamonitrile, p-fluorocinnamonitrile, 3-(4-fluorophenyl)prop-2-enenitrile, 2-Propenenitrile, 3-(4-fluorophenyl)-
| Molecular Formula | C9H6FN |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.04843 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 7182-77-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC#N)F |
| InChIKey | WVWTVBZOOBKCKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenenitrile, 3-(4-fluorophenyl)- (CAS 7182-77-6), with molecular formula C9H6FN and molecular weight 147.05 g/mol. IUPAC: 3-(4-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 3-(4-fluorophenyl)-
Property Insights of 2-Propenenitrile, 3-(4-fluorophenyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3-(4-fluorophenyl)-. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Propenenitrile, 3-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 3-(4-fluorophenyl)- 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-Propenenitrile, 3-(4-fluorophenyl)-?
The CAS number of 2-Propenenitrile, 3-(4-fluorophenyl)- is 7182-77-6.
What is the molecular formula of 2-Propenenitrile, 3-(4-fluorophenyl)-?
The molecular formula of 2-Propenenitrile, 3-(4-fluorophenyl)- is C9H6FN.
What is the molecular weight of 2-Propenenitrile, 3-(4-fluorophenyl)-?
The molecular weight of 2-Propenenitrile, 3-(4-fluorophenyl)- is 147.05 g/mol.
Where can I buy 2-Propenenitrile, 3-(4-fluorophenyl)-?
You can request a quote for 2-Propenenitrile, 3-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenenitrile, 3-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 3-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.