Phenyl 4-fluorobenzenesulfonate
TL;DR: Phenyl 4-fluorobenzenesulfonate (CAS 13656-61-6) is a chemical compound with molecular formula C12H9FO3S and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-fluorobenzenesulfonate
Also Known As: phenyl 4-fluorobenzenesulfonate, phenyl 4-fluorobenzene-1-sulfonate, BAS 02106059, 4-Fluorobenzenesulfonic acid phenyl ester, 4-Fluoro-benzenesulfonic acid phenyl ester
| Molecular Formula | C12H9FO3S |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 2.5934 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.02565 |
| Heavy Atoms | 17 |
| Complexity | 591.4077 |
Chemical Identifiers
| CAS Number | 13656-61-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
Phenyl 4-fluorobenzenesulfonate (CAS 13656-61-6), with molecular formula C12H9FO3S and molecular weight 252.03 g/mol. IUPAC: phenyl 4-fluorobenzenesulfonate.
Chemical Property Profile of Phenyl 4-fluorobenzenesulfonate
Property Insights of Phenyl 4-fluorobenzenesulfonate
The XLogP value of 2.5934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 4-fluorobenzenesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, Phenyl 4-fluorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-fluorobenzenesulfonate 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 Phenyl 4-fluorobenzenesulfonate?
The CAS number of Phenyl 4-fluorobenzenesulfonate is 13656-61-6.
What is the molecular formula of Phenyl 4-fluorobenzenesulfonate?
The molecular formula of Phenyl 4-fluorobenzenesulfonate is C12H9FO3S.
What is the molecular weight of Phenyl 4-fluorobenzenesulfonate?
The molecular weight of Phenyl 4-fluorobenzenesulfonate is 252.03 g/mol.
Where can I buy Phenyl 4-fluorobenzenesulfonate?
You can request a quote for Phenyl 4-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.