4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate
TL;DR: 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate (CAS 66264-75-3) is a chemical compound with molecular formula C11H11BrO3S and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-bromoacetyl)-3-methylsulfanylphenyl] acetate
Also Known As: 4- -3- phenylacetate, 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate, EINECS 266-289-2, [4-(2-bromoacetyl)-3-methylsulfanylphenyl] acetate, 4-(Bromoacetyl)-3-(methylsulfanyl)phenyl acetate
| Molecular Formula | C11H11BrO3S |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | 2.9114 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.96124 |
| Heavy Atoms | 16 |
| Complexity | 417.69073 |
Chemical Identifiers
| CAS Number | 66264-75-3 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)C(=O)CBr)SC |
Product Overview
4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate (CAS 66264-75-3), with molecular formula C11H11BrO3S and molecular weight 301.96 g/mol. IUPAC: [4-(2-bromoacetyl)-3-methylsulfanylphenyl] acetate.
Chemical Property Profile of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate
Property Insights of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate
The XLogP value of 2.9114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate. With a topological polar surface area (TPSA) of 43.37 Ų, 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate 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 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate?
The CAS number of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate is 66264-75-3.
What is the molecular formula of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate?
The molecular formula of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate is C11H11BrO3S.
What is the molecular weight of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate?
The molecular weight of 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate is 301.96 g/mol.
Where can I buy 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate?
You can request a quote for 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoacetyl)-3-(methylthio)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.