ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate
TL;DR: ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate (CAS 1233131-24-2) is a chemical compound with molecular formula C10H10O4S and molecular weight 226.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (Z)-2-hydroxy-4-oxo-4-thiophen-2-ylbut-2-enoate
Also Known As: ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate, J3.564.291I, Ethyl 2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate, ethyl (Z)-2-hydroxy-4-oxo-4-thiophen-2-ylbut-2-enoate, Ethyl (2Z)-2-hydroxy-4-oxo-4-(2-thienyl)-2-butenoate
Technical Specifications
| Molecular Formula | C10H10O4S |
| Molecular Weight | 226.02998 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.02998 Da |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
| SMILES | CCOC(=O)/C(=C/C(=O)C1=CC=CS1)/O |
| InChIKey | ADGYUYIYYMFEES-VURMDHGXSA-N |
Chemical Property Profile of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate
Property Insights of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate. Following Lipinski's Rule of Five, ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate has 1 hydrogen bond donor(s) and 5 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 (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate?
The CAS number of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate is 1233131-24-2.
What is the molecular formula of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate?
The molecular formula of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate is C10H10O4S.
What is the molecular weight of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate?
The molecular weight of ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate is 226.02998 g/mol.
Where can I buy ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate?
You can request a quote for ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.