trans N-Benzyl Paroxetine
TL;DR: trans N-Benzyl Paroxetine (CAS 1217614-37-3) is a chemical compound with molecular formula C26H26FNO3 and molecular weight 419.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine
Also Known As: trans N-Benzyl Paroxetine, transN-BenzylParoxetine-d4, (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine, 3-(benzo[1,3]dioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine, Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-(phenylmethyl)-,(3S,4R)-
| Molecular Formula | C26H26FNO3 |
|---|---|
| Molecular Weight | 419.19 g/mol |
| LogP | 5.2391 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.18967 |
| Heavy Atoms | 31 |
| Complexity | 1008.9205 |
Chemical Identifiers
| CAS Number | 1217614-37-3 |
|---|---|
| SMILES | C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5 |
Product Overview
trans N-Benzyl Paroxetine (CAS 1217614-37-3), with molecular formula C26H26FNO3 and molecular weight 419.19 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine.
Chemical Property Profile of trans N-Benzyl Paroxetine
Property Insights of trans N-Benzyl Paroxetine
The XLogP value of 5.2391 indicates that trans N-Benzyl Paroxetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, trans N-Benzyl Paroxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans N-Benzyl Paroxetine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trans N-Benzyl Paroxetine?
The CAS number of trans N-Benzyl Paroxetine is 1217614-37-3.
What is the molecular formula of trans N-Benzyl Paroxetine?
The molecular formula of trans N-Benzyl Paroxetine is C26H26FNO3.
What is the molecular weight of trans N-Benzyl Paroxetine?
The molecular weight of trans N-Benzyl Paroxetine is 419.19 g/mol.
Where can I buy trans N-Benzyl Paroxetine?
You can request a quote for trans N-Benzyl Paroxetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans N-Benzyl Paroxetine?
Yes, KEHONG BIO provides custom synthesis services for trans N-Benzyl Paroxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.