Methyl 2-((4-bromophenyl)sulfonyl)acetate
TL;DR: Methyl 2-((4-bromophenyl)sulfonyl)acetate (CAS 50397-65-4) is a chemical compound with molecular formula C9H9BrO4S and molecular weight 291.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-bromophenyl)sulfonylacetate
Also Known As: methyl 2-(4-bromobenzenesulfonyl)acetate, methyl 2-(4-bromophenyl)sulfonylacetate, Methyl [(4-bromophenyl)sulfonyl]acetate, (4-Bromophenylsulfonyl)acetic acid methyl ester, methyl 2-[(4-bromobenzene)sulfonyl]acetate
| Molecular Formula | C9H9BrO4S |
|---|---|
| Molecular Weight | 291.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.9405 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 50397-65-4 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | CNEVNTZDQZVZGP-UHFFFAOYSA-N |
Product Overview
Methyl 2-((4-bromophenyl)sulfonyl)acetate (CAS 50397-65-4), with molecular formula C9H9BrO4S and molecular weight 291.94 g/mol. IUPAC: methyl 2-(4-bromophenyl)sulfonylacetate.
Chemical Property Profile of Methyl 2-((4-bromophenyl)sulfonyl)acetate
Property Insights of Methyl 2-((4-bromophenyl)sulfonyl)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((4-bromophenyl)sulfonyl)acetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((4-bromophenyl)sulfonyl)acetate. Following Lipinski's Rule of Five, Methyl 2-((4-bromophenyl)sulfonyl)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 Methyl 2-((4-bromophenyl)sulfonyl)acetate?
The CAS number of Methyl 2-((4-bromophenyl)sulfonyl)acetate is 50397-65-4.
What is the molecular formula of Methyl 2-((4-bromophenyl)sulfonyl)acetate?
The molecular formula of Methyl 2-((4-bromophenyl)sulfonyl)acetate is C9H9BrO4S.
What is the molecular weight of Methyl 2-((4-bromophenyl)sulfonyl)acetate?
The molecular weight of Methyl 2-((4-bromophenyl)sulfonyl)acetate is 291.94 g/mol.
Where can I buy Methyl 2-((4-bromophenyl)sulfonyl)acetate?
You can request a quote for Methyl 2-((4-bromophenyl)sulfonyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((4-bromophenyl)sulfonyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((4-bromophenyl)sulfonyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.