4-Fluorophenethylisocyanide
TL;DR: 4-Fluorophenethylisocyanide (CAS 244221-04-3) is a chemical compound with molecular formula C9H8FN and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(2-isocyanoethyl)benzene
Also Known As: 4-Fluorophenethylisocyanide, 1-fluoro-4-(2-isocyanoethyl)benzene, Benzene,1-fluoro-4- -, Benzene,1-fluoro-4-(2-isocyanoethyl)-, 2-(4-Fluorophenyl)ethyl isocyanide
| Molecular Formula | C9H8FN |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 2.28749 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.06407 |
| Heavy Atoms | 11 |
| Complexity | 257.88638 |
Chemical Identifiers
| CAS Number | 244221-04-3 |
|---|---|
| SMILES | [C-]#[N+]CCC1=CC=C(C=C1)F |
Product Overview
4-Fluorophenethylisocyanide (CAS 244221-04-3), with molecular formula C9H8FN and molecular weight 149.06 g/mol. IUPAC: 1-fluoro-4-(2-isocyanoethyl)benzene.
Chemical Property Profile of 4-Fluorophenethylisocyanide
Property Insights of 4-Fluorophenethylisocyanide
The XLogP value of 2.28749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenethylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 4-Fluorophenethylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenethylisocyanide has 0 hydrogen bond donor(s) and 0 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-Fluorophenethylisocyanide?
The CAS number of 4-Fluorophenethylisocyanide is 244221-04-3.
What is the molecular formula of 4-Fluorophenethylisocyanide?
The molecular formula of 4-Fluorophenethylisocyanide is C9H8FN.
What is the molecular weight of 4-Fluorophenethylisocyanide?
The molecular weight of 4-Fluorophenethylisocyanide is 149.06 g/mol.
Where can I buy 4-Fluorophenethylisocyanide?
You can request a quote for 4-Fluorophenethylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenethylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenethylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.