Paroxetine Acetate
TL;DR: Paroxetine Acetate (CAS 72471-80-8) is a chemical compound with molecular formula C21H24FNO5 and molecular weight 389.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Also Known As: Paroxetine Acetate, PAROXETINE ACETATE [WHO-DD], acetic acid;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine, Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)-, acetate, PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, ACETATE (1:1), (3S,4R)-
| Molecular Formula | C21H24FNO5 |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | 3.4174 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.16385 |
| Heavy Atoms | 28 |
| Complexity | 791.883 |
Chemical Identifiers
| CAS Number | 72471-80-8 |
|---|---|
| SMILES | CC(=O)O.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4 |
Product Overview
Paroxetine Acetate (CAS 72471-80-8), with molecular formula C21H24FNO5 and molecular weight 389.16 g/mol. IUPAC: acetic acid;(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine.
Chemical Property Profile of Paroxetine Acetate
Property Insights of Paroxetine Acetate
The XLogP value of 3.4174 indicates that Paroxetine Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Paroxetine Acetate. Following Lipinski's Rule of Five, Paroxetine Acetate has 2 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 Acetate?
The CAS number of Paroxetine Acetate is 72471-80-8.
What is the molecular formula of Paroxetine Acetate?
The molecular formula of Paroxetine Acetate is C21H24FNO5.
What is the molecular weight of Paroxetine Acetate?
The molecular weight of Paroxetine Acetate is 389.16 g/mol.
Where can I buy Paroxetine Acetate?
You can request a quote for Paroxetine Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paroxetine Acetate?
Yes, KEHONG BIO provides custom synthesis services for Paroxetine Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.