1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one
TL;DR: 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one (CAS 280108-08-9) is a chemical compound with molecular formula C14H10BrNOS and molecular weight 318.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one
Also Known As: Propenone, 1-(3-bromophenyl)-3-(2-pyridylthio)-, 1-(3-bromophenyl)-3-(2-pyridinylsulfanyl)-2-propen-1-one, 1-(3-bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one, 1-(3-bromophenyl)-3-(pyridin-2-ylsulfanyl)prop-2-en-1-one
| Molecular Formula | C14H10BrNOS |
|---|---|
| Molecular Weight | 318.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.96664 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 280108-08-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC=CC(=O)C2=CC(=CC=C2)Br |
| InChIKey | GJWHSAKIWYZZJY-UHFFFAOYSA-N |
Product Overview
1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one (CAS 280108-08-9), with molecular formula C14H10BrNOS and molecular weight 318.97 g/mol. IUPAC: 1-(3-bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one.
Chemical Property Profile of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one
Property Insights of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one
The XLogP value of 3.9 indicates that 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one has 0 hydrogen bond donor(s) and 3 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-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one?
The CAS number of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one is 280108-08-9.
What is the molecular formula of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one?
The molecular formula of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one is C14H10BrNOS.
What is the molecular weight of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one?
The molecular weight of 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one is 318.97 g/mol.
Where can I buy 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one?
You can request a quote for 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.