4-氟丁腈
TL;DR: 4-氟丁腈 (CAS 407-83-0) is a chemical compound with molecular formula C4H6FN and molecular weight 87.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟丁腈
4-fluorobutanenitrile
Also Known As: 4-fluorobutanenitrile, 4-Fluorobutyronitrile, gamma-Fluorobutyronitrile, BUTYRONITRILE, 4-FLUORO-, 4-fluoro-butyronitrile
| Molecular Formula | C4H6FN |
|---|---|
| Molecular Weight | 87.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 87.04842 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 407-83-0 |
|---|---|
| SMILES | C(CC#N)CF |
| InChIKey | FJJJJRAPZCRYGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟丁腈 (CAS 407-83-0), with molecular formula C4H6FN and molecular weight 87.05 g/mol. IUPAC: 4-fluorobutanenitrile.
Chemical Property Profile of 4-氟丁腈
Property Insights of 4-氟丁腈
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟丁腈. With a topological polar surface area (TPSA) of 23.8 Ų, 4-氟丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟丁腈 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 4-氟丁腈?
The CAS number of 4-氟丁腈 is 407-83-0.
What is the molecular formula of 4-氟丁腈?
The molecular formula of 4-氟丁腈 is C4H6FN.
What is the molecular weight of 4-氟丁腈?
The molecular weight of 4-氟丁腈 is 87.05 g/mol.
Where can I buy 4-氟丁腈?
You can request a quote for 4-氟丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氟丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.