trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine
TL;DR: trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine (CAS 317323-77-6) is a chemical compound with molecular formula C20H24FNO3S and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate
Also Known As: Paroxol Tosylate, Paroxetine Impurity 44, Paroxetine Impurity 147, trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-[(4-toluenesulfonyloxy)methyl]piperidine, [(3S,4R)-4-(4-FLUOROPHENYL)-1-METHYLPIPERIDIN-3-YL]METHYL 4-METHYLBENZENESULFONATE
| Molecular Formula | C20H24FNO3S |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | 3.57492 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1461 |
| Heavy Atoms | 26 |
| Complexity | 834.3649 |
Chemical Identifiers
| CAS Number | 317323-77-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CN(CC[C@H]2C3=CC=C(C=C3)F)C |
Product Overview
trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine (CAS 317323-77-6), with molecular formula C20H24FNO3S and molecular weight 377.15 g/mol. IUPAC: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine
Property Insights of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine
The XLogP value of 3.57492 indicates that trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine 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 trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine?
The CAS number of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine is 317323-77-6.
What is the molecular formula of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine?
The molecular formula of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine is C20H24FNO3S.
What is the molecular weight of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine?
The molecular weight of trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine is 377.15 g/mol.
Where can I buy trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine?
You can request a quote for trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for trans-(-)-4-(4-Fluorophenyl)-1-methyl-3-((4-toluenesulfonyloxy)methyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.