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Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate
TL;DR: Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate (CAS 153783-92-7) is a chemical compound with molecular formula C11H11BrO3S and molecular weight 301.96124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylacetate
Also Known As: methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate, methyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylacetate, methyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylacetate, methyl2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate, C11H11BrO3S
Technical Specifications
| Molecular Formula | C11H11BrO3S |
| Molecular Weight | 301.96124 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.96124 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | COC(=O)CSCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | NPMBDWZJRDBNHN-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate
Property Insights of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate. Following Lipinski's Rule of Five, Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}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
What is the CAS number of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate?
The CAS number of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate is 153783-92-7.
What is the molecular formula of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate?
The molecular formula of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate is C11H11BrO3S.
What is the molecular weight of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate?
The molecular weight of Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate is 301.96124 g/mol.
Where can I buy Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate?
You can request a quote for Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.