Methyl 4-(benzenesulfonyl)but-2-enoate
TL;DR: Methyl 4-(benzenesulfonyl)but-2-enoate (CAS 1666117-58-3) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(benzenesulfonyl)but-2-enoate
Also Known As: Methyl 4-(benzenesulfonyl)but-2-enoate, methyl 4-(phenylsulfonyl)-2-butenoate
Technical Specifications
| Molecular Formula | C11H12O4S |
| Molecular Weight | 240.04562 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.04562 Da |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
| SMILES | COC(=O)C=CCS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | UPSCHUMZRHHZFN-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(benzenesulfonyl)but-2-enoate
Property Insights of Methyl 4-(benzenesulfonyl)but-2-enoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(benzenesulfonyl)but-2-enoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(benzenesulfonyl)but-2-enoate. Following Lipinski's Rule of Five, Methyl 4-(benzenesulfonyl)but-2-enoate 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 4-(benzenesulfonyl)but-2-enoate?
The CAS number of Methyl 4-(benzenesulfonyl)but-2-enoate is 1666117-58-3.
What is the molecular formula of Methyl 4-(benzenesulfonyl)but-2-enoate?
The molecular formula of Methyl 4-(benzenesulfonyl)but-2-enoate is C11H12O4S.
What is the molecular weight of Methyl 4-(benzenesulfonyl)but-2-enoate?
The molecular weight of Methyl 4-(benzenesulfonyl)but-2-enoate is 240.04562 g/mol.
Where can I buy Methyl 4-(benzenesulfonyl)but-2-enoate?
You can request a quote for Methyl 4-(benzenesulfonyl)but-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(benzenesulfonyl)but-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(benzenesulfonyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.