4-氟苯磺酰氯
TL;DR: 4-氟苯磺酰氯 (CAS 349-88-2) is a chemical compound with molecular formula C6H4ClFO2S and molecular weight 193.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟苯磺酰氯
4-fluorobenzenesulfonyl chloride
Also Known As: 4-Fluorobenzenesulfonyl chloride, 4-Fluorobenzene-1-Sulfonyl Chloride, 4-Fluorobenzenesulphonyl chloride, null, p-Fluorobenzenesulfonyl chloride
| Molecular Formula | C6H4ClFO2S |
|---|---|
| Molecular Weight | 193.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.96045 |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 349-88-2 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)Cl |
| InChIKey | BFXHJFKKRGVUMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟苯磺酰氯 (CAS 349-88-2), with molecular formula C6H4ClFO2S and molecular weight 193.96 g/mol. IUPAC: 4-fluorobenzenesulfonyl chloride.
Chemical Property Profile of 4-氟苯磺酰氯
Property Insights of 4-氟苯磺酰氯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟苯磺酰氯. With a topological polar surface area (TPSA) of 42.5 Ų, 4-氟苯磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟苯磺酰氯 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-氟苯磺酰氯?
The CAS number of 4-氟苯磺酰氯 is 349-88-2.
What is the molecular formula of 4-氟苯磺酰氯?
The molecular formula of 4-氟苯磺酰氯 is C6H4ClFO2S.
What is the molecular weight of 4-氟苯磺酰氯?
The molecular weight of 4-氟苯磺酰氯 is 193.96 g/mol.
Where can I buy 4-氟苯磺酰氯?
You can request a quote for 4-氟苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-氟苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.