4-Fluorobenzoyl isocyanate
TL;DR: 4-Fluorobenzoyl isocyanate (CAS 18354-35-3) is a chemical compound with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzoyl isocyanate
Also Known As: 4-fluorobenzoyl isocyanate, p-Fluorbenzoylisocyanat, Benzoyl isocyanate,4-fluoro-, 4-fluorobenzoylisocyanate, Benzoyl isocyanate, 4-fluoro-
| Molecular Formula | C8H4FNO2 |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.3017 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02261 |
| Heavy Atoms | 12 |
| Complexity | 338.5804 |
Chemical Identifiers
| CAS Number | 18354-35-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N=C=O)F |
Product Overview
4-Fluorobenzoyl isocyanate (CAS 18354-35-3), with molecular formula C8H4FNO2 and molecular weight 165.02 g/mol. IUPAC: 4-fluorobenzoyl isocyanate.
Chemical Property Profile of 4-Fluorobenzoyl isocyanate
Property Insights of 4-Fluorobenzoyl isocyanate
The XLogP value of 1.3017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzoyl isocyanate. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Fluorobenzoyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzoyl isocyanate 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-Fluorobenzoyl isocyanate?
The CAS number of 4-Fluorobenzoyl isocyanate is 18354-35-3.
What is the molecular formula of 4-Fluorobenzoyl isocyanate?
The molecular formula of 4-Fluorobenzoyl isocyanate is C8H4FNO2.
What is the molecular weight of 4-Fluorobenzoyl isocyanate?
The molecular weight of 4-Fluorobenzoyl isocyanate is 165.02 g/mol.
Where can I buy 4-Fluorobenzoyl isocyanate?
You can request a quote for 4-Fluorobenzoyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzoyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzoyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.