3-(氯磺酰基)苯磺酰氟
TL;DR: 3-(氯磺酰基)苯磺酰氟 (CAS 2489-52-3) is a chemical compound with molecular formula C6H4ClFO4S2 and molecular weight 257.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(氯磺酰基)苯磺酰氟
3-chlorosulfonylbenzenesulfonyl fluoride
Also Known As: Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-, m-Benzenedisulfonyl chloride fluoride, 3-chlorosulfonylbenzenesulfonyl fluoride, Benzene-1,3-disulfonyl chloride fluoride, m-Fluorosulfonylbenzenesulfonyl chloride
| Molecular Formula | C6H4ClFO4S2 |
|---|---|
| Molecular Weight | 257.92 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.92236 |
| Heavy Atoms | 14 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 2489-52-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)F |
| InChIKey | ZPGHDPUCQANFAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(氯磺酰基)苯磺酰氟 (CAS 2489-52-3), with molecular formula C6H4ClFO4S2 and molecular weight 257.92 g/mol. IUPAC: 3-chlorosulfonylbenzenesulfonyl fluoride.
Chemical Property Profile of 3-(氯磺酰基)苯磺酰氟
Property Insights of 3-(氯磺酰基)苯磺酰氟
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(氯磺酰基)苯磺酰氟. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(氯磺酰基)苯磺酰氟. Following Lipinski's Rule of Five, 3-(氯磺酰基)苯磺酰氟 has 0 hydrogen bond donor(s) and 5 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 3-(氯磺酰基)苯磺酰氟?
The CAS number of 3-(氯磺酰基)苯磺酰氟 is 2489-52-3.
What is the molecular formula of 3-(氯磺酰基)苯磺酰氟?
The molecular formula of 3-(氯磺酰基)苯磺酰氟 is C6H4ClFO4S2.
What is the molecular weight of 3-(氯磺酰基)苯磺酰氟?
The molecular weight of 3-(氯磺酰基)苯磺酰氟 is 257.92 g/mol.
Where can I buy 3-(氯磺酰基)苯磺酰氟?
You can request a quote for 3-(氯磺酰基)苯磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(氯磺酰基)苯磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 3-(氯磺酰基)苯磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.