1-Cyano-4-fluoronaphthalene
TL;DR: 1-Cyano-4-fluoronaphthalene (CAS 98187-18-9) is a chemical compound with molecular formula C11H6FN and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoronaphthalene-1-carbonitrile
Also Known As: 1-Cyano-4-fluoronaphthalene, 4-Fluoro-1-naphthonitrile, 4-fluoronaphthalene-1-carbonitrile, 4-Fluoro-1-phthonitrile, 1-cyano-4-fluoronapthalene
| Molecular Formula | C11H6FN |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 2.85058 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.04843 |
| Heavy Atoms | 13 |
| Complexity | 496.9067 |
Chemical Identifiers
| CAS Number | 98187-18-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2F)C#N |
Product Overview
1-Cyano-4-fluoronaphthalene (CAS 98187-18-9), with molecular formula C11H6FN and molecular weight 171.05 g/mol. IUPAC: 4-fluoronaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Cyano-4-fluoronaphthalene
Property Insights of 1-Cyano-4-fluoronaphthalene
The XLogP value of 2.85058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-4-fluoronaphthalene. With a topological polar surface area (TPSA) of 23.79 Ų, 1-Cyano-4-fluoronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-4-fluoronaphthalene has 0 hydrogen bond donor(s) and 1 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 1-Cyano-4-fluoronaphthalene?
The CAS number of 1-Cyano-4-fluoronaphthalene is 98187-18-9.
What is the molecular formula of 1-Cyano-4-fluoronaphthalene?
The molecular formula of 1-Cyano-4-fluoronaphthalene is C11H6FN.
What is the molecular weight of 1-Cyano-4-fluoronaphthalene?
The molecular weight of 1-Cyano-4-fluoronaphthalene is 171.05 g/mol.
Where can I buy 1-Cyano-4-fluoronaphthalene?
You can request a quote for 1-Cyano-4-fluoronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-4-fluoronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-4-fluoronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.