Benzoyl chloride, 3-(fluorosulfonyl)-
TL;DR: Benzoyl chloride, 3-(fluorosulfonyl)- (CAS 454-93-3) is a chemical compound with molecular formula C7H4ClFO3S and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluorosulfonylbenzoyl chloride
Also Known As: 3-Fluorosulfonylbenzoyl chloride, 3-(fluorosulfonyl)benzoyl chloride, Benzoyl chloride, 3-(fluorosulfonyl)-, m-(Fluorosulfonyl)benzoyl chloride, Benzoyl chloride,3-(fluorosulfonyl)-
| Molecular Formula | C7H4ClFO3S |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.95537 |
| Heavy Atoms | 13 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 454-93-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)Cl |
| InChIKey | ZYZOMPZZWUWKLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoyl chloride, 3-(fluorosulfonyl)- (CAS 454-93-3), with molecular formula C7H4ClFO3S and molecular weight 221.96 g/mol. IUPAC: 3-fluorosulfonylbenzoyl chloride.
Chemical Property Profile of Benzoyl chloride, 3-(fluorosulfonyl)-
Property Insights of Benzoyl chloride, 3-(fluorosulfonyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoyl chloride, 3-(fluorosulfonyl)-. With a topological polar surface area (TPSA) of 59.6 Ų, Benzoyl chloride, 3-(fluorosulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoyl chloride, 3-(fluorosulfonyl)- has 0 hydrogen bond donor(s) and 4 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 Benzoyl chloride, 3-(fluorosulfonyl)-?
The CAS number of Benzoyl chloride, 3-(fluorosulfonyl)- is 454-93-3.
What is the molecular formula of Benzoyl chloride, 3-(fluorosulfonyl)-?
The molecular formula of Benzoyl chloride, 3-(fluorosulfonyl)- is C7H4ClFO3S.
What is the molecular weight of Benzoyl chloride, 3-(fluorosulfonyl)-?
The molecular weight of Benzoyl chloride, 3-(fluorosulfonyl)- is 221.96 g/mol.
Where can I buy Benzoyl chloride, 3-(fluorosulfonyl)-?
You can request a quote for Benzoyl chloride, 3-(fluorosulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyl chloride, 3-(fluorosulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoyl chloride, 3-(fluorosulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.