Phenyl fluoranesulfonate
TL;DR: Phenyl fluoranesulfonate (CAS 330-00-7) is a chemical compound with molecular formula C6H5FO3S and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
fluorosulfonyloxybenzene
Also Known As: Phenyl fluorosulfate, fluorosulfonyloxybenzene, phenyl sulfurofluoridate, Phenyl fluorosulphonate, Phenoxysulphonyl fluoride
| Molecular Formula | C6H5FO3S |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.99434 |
| Heavy Atoms | 11 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 330-00-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)F |
| InChIKey | BDIBYQORZHGDIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl fluoranesulfonate (CAS 330-00-7), with molecular formula C6H5FO3S and molecular weight 175.99 g/mol. IUPAC: fluorosulfonyloxybenzene.
Chemical Property Profile of Phenyl fluoranesulfonate
Property Insights of Phenyl fluoranesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl fluoranesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Phenyl fluoranesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl fluoranesulfonate 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 Phenyl fluoranesulfonate?
The CAS number of Phenyl fluoranesulfonate is 330-00-7.
What is the molecular formula of Phenyl fluoranesulfonate?
The molecular formula of Phenyl fluoranesulfonate is C6H5FO3S.
What is the molecular weight of Phenyl fluoranesulfonate?
The molecular weight of Phenyl fluoranesulfonate is 175.99 g/mol.
Where can I buy Phenyl fluoranesulfonate?
You can request a quote for Phenyl fluoranesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl fluoranesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl fluoranesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.