4-Methylbenzenesulfonyl fluoride
TL;DR: 4-Methylbenzenesulfonyl fluoride (CAS 455-16-3) is a chemical compound with molecular formula C7H7FO2S and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonyl fluoride
Also Known As: p-TOLUENESULFONYL FLUORIDE, Tosyl fluoride, 4-Methylbenzenesulfonyl fluoride, 4-Toluenesulfonyl fluoride, p-toluenesulfonylfluoride
| Molecular Formula | C7H7FO2S |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.01508 |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 455-16-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)F |
| InChIKey | IZZYABADQVQHLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzenesulfonyl fluoride (CAS 455-16-3), with molecular formula C7H7FO2S and molecular weight 174.02 g/mol. IUPAC: 4-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 4-Methylbenzenesulfonyl fluoride
Property Insights of 4-Methylbenzenesulfonyl fluoride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzenesulfonyl fluoride. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Methylbenzenesulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzenesulfonyl fluoride 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-Methylbenzenesulfonyl fluoride?
The CAS number of 4-Methylbenzenesulfonyl fluoride is 455-16-3.
What is the molecular formula of 4-Methylbenzenesulfonyl fluoride?
The molecular formula of 4-Methylbenzenesulfonyl fluoride is C7H7FO2S.
What is the molecular weight of 4-Methylbenzenesulfonyl fluoride?
The molecular weight of 4-Methylbenzenesulfonyl fluoride is 174.02 g/mol.
Where can I buy 4-Methylbenzenesulfonyl fluoride?
You can request a quote for 4-Methylbenzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.