N-Phenoxycarbonylparoxetine
TL;DR: N-Phenoxycarbonylparoxetine (CAS 127017-41-8) is a chemical compound with molecular formula C26H24FNO5 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
Also Known As: N-Phenoxycarbonylparoxetine, N-Phenylcarbamate paroxetine, Paroxetine Impurity 30, Paroxetine Impurity 9, Paroxetine Impurity 64
| Molecular Formula | C26H24FNO5 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 5.2379 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.16385 |
| Heavy Atoms | 33 |
| Complexity | 1105.4249 |
Chemical Identifiers
| CAS Number | 127017-41-8 |
|---|---|
| SMILES | C1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)C(=O)OC5=CC=CC=C5 |
Product Overview
N-Phenoxycarbonylparoxetine (CAS 127017-41-8), with molecular formula C26H24FNO5 and molecular weight 449.16 g/mol. IUPAC: phenyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate.
Chemical Property Profile of N-Phenoxycarbonylparoxetine
Property Insights of N-Phenoxycarbonylparoxetine
The XLogP value of 5.2379 indicates that N-Phenoxycarbonylparoxetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, N-Phenoxycarbonylparoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenoxycarbonylparoxetine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Phenoxycarbonylparoxetine?
The CAS number of N-Phenoxycarbonylparoxetine is 127017-41-8.
What is the molecular formula of N-Phenoxycarbonylparoxetine?
The molecular formula of N-Phenoxycarbonylparoxetine is C26H24FNO5.
What is the molecular weight of N-Phenoxycarbonylparoxetine?
The molecular weight of N-Phenoxycarbonylparoxetine is 449.16 g/mol.
Where can I buy N-Phenoxycarbonylparoxetine?
You can request a quote for N-Phenoxycarbonylparoxetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenoxycarbonylparoxetine?
Yes, KEHONG BIO provides custom synthesis services for N-Phenoxycarbonylparoxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.