4-Fluorobenzenesulfonyl isocyanate
TL;DR: 4-Fluorobenzenesulfonyl isocyanate (CAS 38950-20-8) is a chemical compound with molecular formula C7H4FNO3S and molecular weight 200.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-(oxomethylidene)benzenesulfonamide
Also Known As: 4-Fluorobenzenesulfonyl isocyanate, Cholinphosphate sodium salt, 4-fluoro-N-(oxomethylidene)benzenesulfonamide, 4-Fluorobenzene-1-sulfonyl isocyanate, 4-Fluorophenylsulfonyl isocyanate
| Molecular Formula | C7H4FNO3S |
|---|---|
| Molecular Weight | 200.99 g/mol |
| LogP | 0.8502 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.9896 |
| Heavy Atoms | 13 |
| Complexity | 445.13092 |
Chemical Identifiers
| CAS Number | 38950-20-8 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)N=C=O |
Product Overview
4-Fluorobenzenesulfonyl isocyanate (CAS 38950-20-8), with molecular formula C7H4FNO3S and molecular weight 200.99 g/mol. IUPAC: 4-fluoro-N-(oxomethylidene)benzenesulfonamide.
Chemical Property Profile of 4-Fluorobenzenesulfonyl isocyanate
Property Insights of 4-Fluorobenzenesulfonyl isocyanate
The XLogP value of 0.8502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzenesulfonyl isocyanate. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorobenzenesulfonyl isocyanate. Following Lipinski's Rule of Five, 4-Fluorobenzenesulfonyl isocyanate has 0 hydrogen bond donor(s) and 3 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-Fluorobenzenesulfonyl isocyanate?
The CAS number of 4-Fluorobenzenesulfonyl isocyanate is 38950-20-8.
What is the molecular formula of 4-Fluorobenzenesulfonyl isocyanate?
The molecular formula of 4-Fluorobenzenesulfonyl isocyanate is C7H4FNO3S.
What is the molecular weight of 4-Fluorobenzenesulfonyl isocyanate?
The molecular weight of 4-Fluorobenzenesulfonyl isocyanate is 200.99 g/mol.
Where can I buy 4-Fluorobenzenesulfonyl isocyanate?
You can request a quote for 4-Fluorobenzenesulfonyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzenesulfonyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzenesulfonyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.