3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one
TL;DR: 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one (CAS 99507-52-5) is a chemical compound with molecular formula C20H22BrNOS and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-3-phenylsulfanyl-1-piperidin-1-ylpropan-1-one
Also Known As: 1-(3-(3-Bromophenyl)-1-oxo-3-(phenylthio)propyl)piperidine, Piperidine, 1-(3-(3-bromophenyl)-1-oxo-3-(phenylthio)propyl)-, 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one, 3-(3-bromophenyl)-3-phenylsulfanyl-1-piperidin-1-ylpropan-1-one, RefChem:1066675
| Molecular Formula | C20H22BrNOS |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 5.6851 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06055 |
| Heavy Atoms | 24 |
| Complexity | 670.3489 |
Chemical Identifiers
| CAS Number | 99507-52-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CC(C2=CC(=CC=C2)Br)SC3=CC=CC=C3 |
Product Overview
3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one (CAS 99507-52-5), with molecular formula C20H22BrNOS and molecular weight 403.06 g/mol. IUPAC: 3-(3-bromophenyl)-3-phenylsulfanyl-1-piperidin-1-ylpropan-1-one.
Chemical Property Profile of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one
Property Insights of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one
The XLogP value of 5.6851 indicates that 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one?
The CAS number of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one is 99507-52-5.
What is the molecular formula of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one?
The molecular formula of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one is C20H22BrNOS.
What is the molecular weight of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one?
The molecular weight of 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one is 403.06 g/mol.
Where can I buy 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one?
You can request a quote for 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromophenyl)-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.