Desfluoroparoxetine
TL;DR: Desfluoroparoxetine (CAS 112058-81-8) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 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-phenylpiperidine
Also Known As: Desfluoroparoxetine, Paroxetine impurity A, Paroxetine impurity A CRS, Defluoro Paroxetine, Hydrochloride, Desfluoro Paroxetine impurity A
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.1874 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 658.91925 |
Chemical Identifiers
| CAS Number | 112058-81-8 |
|---|---|
| SMILES | C1CNC[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4 |
Product Overview
Desfluoroparoxetine (CAS 112058-81-8), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidine.
Chemical Property Profile of Desfluoroparoxetine
Property Insights of Desfluoroparoxetine
The XLogP value of 3.1874 indicates that Desfluoroparoxetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, Desfluoroparoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desfluoroparoxetine has 1 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 Desfluoroparoxetine?
The CAS number of Desfluoroparoxetine is 112058-81-8.
What is the molecular formula of Desfluoroparoxetine?
The molecular formula of Desfluoroparoxetine is C19H21NO3.
What is the molecular weight of Desfluoroparoxetine?
The molecular weight of Desfluoroparoxetine is 311.15 g/mol.
Where can I buy Desfluoroparoxetine?
You can request a quote for Desfluoroparoxetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desfluoroparoxetine?
Yes, KEHONG BIO provides custom synthesis services for Desfluoroparoxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.