Paroxetine hydrochloride acetone solvate
TL;DR: Paroxetine hydrochloride acetone solvate (CAS 181237-74-1) is a chemical compound with molecular formula C22H27ClFNO4 and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;propan-2-one;hydrochloride
Also Known As: Paroxetine hydrochloride acetone solvate, Paroxetine (paroxetine hydrochloride acetone solvate), 2-Propanone, compd. with (3S,4R)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride, IUPAC: Acetone; 3-(benzo[1,3]dioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; Hydrochloride
| Molecular Formula | C22H27ClFNO4 |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 4.3436 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.16125 |
| Heavy Atoms | 29 |
| Complexity | 795.8993 |
Chemical Identifiers
| CAS Number | 181237-74-1 |
|---|---|
| SMILES | CC(=O)C.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl |
Product Overview
Paroxetine hydrochloride acetone solvate (CAS 181237-74-1), with molecular formula C22H27ClFNO4 and molecular weight 423.16 g/mol. IUPAC: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;propan-2-one;hydrochloride.
Chemical Property Profile of Paroxetine hydrochloride acetone solvate
Property Insights of Paroxetine hydrochloride acetone solvate
The XLogP value of 4.3436 indicates that Paroxetine hydrochloride acetone solvate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Paroxetine hydrochloride acetone solvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paroxetine hydrochloride acetone solvate 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
Frequently Asked Questions
What is the CAS number of Paroxetine hydrochloride acetone solvate?
The CAS number of Paroxetine hydrochloride acetone solvate is 181237-74-1.
What is the molecular formula of Paroxetine hydrochloride acetone solvate?
The molecular formula of Paroxetine hydrochloride acetone solvate is C22H27ClFNO4.
What is the molecular weight of Paroxetine hydrochloride acetone solvate?
The molecular weight of Paroxetine hydrochloride acetone solvate is 423.16 g/mol.
Where can I buy Paroxetine hydrochloride acetone solvate?
You can request a quote for Paroxetine hydrochloride acetone solvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paroxetine hydrochloride acetone solvate?
Yes, KEHONG BIO provides custom synthesis services for Paroxetine hydrochloride acetone solvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.