1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone
TL;DR: 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone (CAS 392719-46-9) is a chemical compound with molecular formula C12H9BrN2OS and molecular weight 307.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone
Also Known As: 1-(4-bromophenyl)-2-(pyrimidin-2-ylthio)ethanone, 1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone, 1-(4-bromophenyl)-2-pyrimidin-2-ylthioethan-1-one, 1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone
| Molecular Formula | C12H9BrN2OS |
|---|---|
| Molecular Weight | 307.96 g/mol |
| LogP | 3.2141 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.9619 |
| Heavy Atoms | 17 |
| Complexity | 501.6739 |
Chemical Identifiers
| CAS Number | 392719-46-9 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone (CAS 392719-46-9), with molecular formula C12H9BrN2OS and molecular weight 307.96 g/mol. IUPAC: 1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone
Property Insights of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone
The XLogP value of 3.2141 indicates that 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone has 0 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 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone?
The CAS number of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone is 392719-46-9.
What is the molecular formula of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone?
The molecular formula of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone is C12H9BrN2OS.
What is the molecular weight of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone?
The molecular weight of 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone is 307.96 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone?
You can request a quote for 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-(pyrimidin-2-ylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.