Methyl 3-(4-bromobenzenesulfonyl)propanoate
TL;DR: Methyl 3-(4-bromobenzenesulfonyl)propanoate (CAS 14223-24-6) is a chemical compound with molecular formula C10H11BrO4S and molecular weight 305.95615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-bromophenyl)sulfonylpropanoate
Also Known As: methyl 3-(4-bromobenzenesulfonyl)propanoate, TimTec1_006373, methyl 3-[(4-bromobenzene)sulfonyl]propanoate, methyl 3-(4-bromophenyl)sulfonylpropanoate, BAS 00093793
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11BrO4S |
| Molecular Weight | 305.95615 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.95615 Da |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| SMILES | COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | DKCXAMHTKGZTRS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(4-bromobenzenesulfonyl)propanoate
Property Insights of Methyl 3-(4-bromobenzenesulfonyl)propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-bromobenzenesulfonyl)propanoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-bromobenzenesulfonyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-bromobenzenesulfonyl)propanoate 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 3-(4-bromobenzenesulfonyl)propanoate?
The CAS number of Methyl 3-(4-bromobenzenesulfonyl)propanoate is 14223-24-6.
What is the molecular formula of Methyl 3-(4-bromobenzenesulfonyl)propanoate?
The molecular formula of Methyl 3-(4-bromobenzenesulfonyl)propanoate is C10H11BrO4S.
What is the molecular weight of Methyl 3-(4-bromobenzenesulfonyl)propanoate?
The molecular weight of Methyl 3-(4-bromobenzenesulfonyl)propanoate is 305.95615 g/mol.
Where can I buy Methyl 3-(4-bromobenzenesulfonyl)propanoate?
You can request a quote for Methyl 3-(4-bromobenzenesulfonyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(4-bromobenzenesulfonyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(4-bromobenzenesulfonyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.