1-Fluoro-4-(2-isocyanatoethyl)benzene
TL;DR: 1-Fluoro-4-(2-isocyanatoethyl)benzene (CAS 65535-53-7) is a chemical compound with molecular formula C9H8FNO and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(2-isocyanatoethyl)benzene
Also Known As: 4-Fluorophenethyl isocyanate, 1-fluoro-4-(2-isocyanatoethyl)benzene, 4-Fluorophenethyl isocyanate, 97%, 1-fluoro-4-(2-isocyanato-ethyl)-benzene, 626-506-7
| Molecular Formula | C9H8FNO |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 1.704 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.05899 |
| Heavy Atoms | 12 |
| Complexity | 287.90176 |
Chemical Identifiers
| CAS Number | 65535-53-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN=C=O)F |
Product Overview
1-Fluoro-4-(2-isocyanatoethyl)benzene (CAS 65535-53-7), with molecular formula C9H8FNO and molecular weight 165.06 g/mol. IUPAC: 1-fluoro-4-(2-isocyanatoethyl)benzene.
Chemical Property Profile of 1-Fluoro-4-(2-isocyanatoethyl)benzene
Property Insights of 1-Fluoro-4-(2-isocyanatoethyl)benzene
The XLogP value of 1.704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-(2-isocyanatoethyl)benzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Fluoro-4-(2-isocyanatoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-(2-isocyanatoethyl)benzene 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 1-Fluoro-4-(2-isocyanatoethyl)benzene?
The CAS number of 1-Fluoro-4-(2-isocyanatoethyl)benzene is 65535-53-7.
What is the molecular formula of 1-Fluoro-4-(2-isocyanatoethyl)benzene?
The molecular formula of 1-Fluoro-4-(2-isocyanatoethyl)benzene is C9H8FNO.
What is the molecular weight of 1-Fluoro-4-(2-isocyanatoethyl)benzene?
The molecular weight of 1-Fluoro-4-(2-isocyanatoethyl)benzene is 165.06 g/mol.
Where can I buy 1-Fluoro-4-(2-isocyanatoethyl)benzene?
You can request a quote for 1-Fluoro-4-(2-isocyanatoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-4-(2-isocyanatoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-(2-isocyanatoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.