(2-Methylphenyl) 4-fluorobenzenesulfonate
TL;DR: (2-Methylphenyl) 4-fluorobenzenesulfonate (CAS 161912-33-0) is a chemical compound with molecular formula C13H11FO3S and molecular weight 266.0413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methylphenyl) 4-fluorobenzenesulfonate
Also Known As: (2-methylphenyl) 4-fluorobenzenesulfonate, 2-methylphenyl 4-fluorobenzenesulfonate, 2-methylphenyl 4-fluorobenzene-1-sulfonate, Benzenesulfonic acid, 4-fluoro-, 2-methylphenyl ester, J2.388.121G
Technical Specifications
| Molecular Formula | C13H11FO3S |
| Molecular Weight | 266.0413 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0413 Da |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
| SMILES | CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | LDJHCHBXQQQIDW-UHFFFAOYSA-N |
Chemical Property Profile of (2-Methylphenyl) 4-fluorobenzenesulfonate
Property Insights of (2-Methylphenyl) 4-fluorobenzenesulfonate
The XLogP value of 3.5 indicates that (2-Methylphenyl) 4-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (2-Methylphenyl) 4-fluorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylphenyl) 4-fluorobenzenesulfonate 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
What is the CAS number of (2-Methylphenyl) 4-fluorobenzenesulfonate?
The CAS number of (2-Methylphenyl) 4-fluorobenzenesulfonate is 161912-33-0.
What is the molecular formula of (2-Methylphenyl) 4-fluorobenzenesulfonate?
The molecular formula of (2-Methylphenyl) 4-fluorobenzenesulfonate is C13H11FO3S.
What is the molecular weight of (2-Methylphenyl) 4-fluorobenzenesulfonate?
The molecular weight of (2-Methylphenyl) 4-fluorobenzenesulfonate is 266.0413 g/mol.
Where can I buy (2-Methylphenyl) 4-fluorobenzenesulfonate?
You can request a quote for (2-Methylphenyl) 4-fluorobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Methylphenyl) 4-fluorobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for (2-Methylphenyl) 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.