ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate
TL;DR: ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate (CAS 115600-05-0) 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.
ethyl (E)-3-(benzenesulfonyl)prop-2-enoate
Also Known As: ethyl 3-(phenylsulfonyl)acrylate, ethyl (E)-3-(phenylsulfonyl)-2-propenoate, ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate, ethyl (E)-3-(benzenesulfonyl)prop-2-enoate, J1.816.356J
Technical Specifications
| Molecular Formula | C11H12O4S |
| Molecular Weight | 240.04562 g/mol |
| XLogP | 1.5 |
| 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 | CCOC(=O)/C=C/S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | RHDRJDLPBOHOAN-CMDGGOBGSA-N |
Chemical Property Profile of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate
Property Insights of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-3-(phenylsulfonyl)prop-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 ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate?
The CAS number of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate is 115600-05-0.
What is the molecular formula of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate?
The molecular formula of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate is C11H12O4S.
What is the molecular weight of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate?
The molecular weight of ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate is 240.04562 g/mol.
Where can I buy ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate?
You can request a quote for ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.