(4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate
TL;DR: (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate (CAS 132442-43-4) is a chemical compound with molecular formula C19H22FNO4S and molecular weight 379.12537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate
Also Known As: (4-fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate, 4-fluorophenyl 4-piperidyl ketone, 4-methylbenzenesulfonic acid, (4-fluorophenyl)-piperidin-1-ium-4-ylmethanone; 4-methylbenzenesulfonate, IUPAC: (4-fluorophenyl)-(3,4,5,6-tetrahydro-2H-pyridin-4-yl)methanone; 4-methylbenzenesulfonate
Technical Specifications
| Molecular Formula | C19H22FNO4S |
| Molecular Weight | 379.12537 g/mol |
| XLogP | 1.88092 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.12537 Da |
| Heavy Atoms | 26 |
| Complexity | 411.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH2+]CCC1C(=O)C2=CC=C(C=C2)F |
| InChIKey | XGLLXYJZWWJEGV-UHFFFAOYSA-N |
Chemical Property Profile of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate
Property Insights of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate
The XLogP value of 1.88092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate?
The CAS number of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate is 132442-43-4.
What is the molecular formula of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate?
The molecular formula of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate is C19H22FNO4S.
What is the molecular weight of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate?
The molecular weight of (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate is 379.12537 g/mol.
Where can I buy (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate?
You can request a quote for (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for (4-Fluorophenyl)-piperidin-1-ium-4-ylmethanone;4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.