2-Oxo-3-thiophen-2-ylpropanoate
TL;DR: 2-Oxo-3-thiophen-2-ylpropanoate (CAS 128562-25-4) is a chemical compound with molecular formula C7H5O3S- and molecular weight 169.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3-thiophen-2-ylpropanoate
Also Known As: 4-pyrrolidin-2-ylpyridine, 2-oxo-3-thiophen-2-ylpropanoate
| Molecular Formula | C7H5O3S- |
|---|---|
| Molecular Weight | 169.00 g/mol |
| LogP | -0.3904 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.99594 |
| Heavy Atoms | 11 |
| Complexity | 263.22287 |
Chemical Identifiers
| CAS Number | 128562-25-4 |
|---|---|
| SMILES | C1=CSC(=C1)CC(=O)C(=O)[O-] |
Product Overview
2-Oxo-3-thiophen-2-ylpropanoate (CAS 128562-25-4), with molecular formula C7H5O3S- and molecular weight 169.00 g/mol. IUPAC: 2-oxo-3-thiophen-2-ylpropanoate.
Chemical Property Profile of 2-Oxo-3-thiophen-2-ylpropanoate
Property Insights of 2-Oxo-3-thiophen-2-ylpropanoate
The XLogP value of -0.3904 indicates that 2-Oxo-3-thiophen-2-ylpropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.2 Ų, 2-Oxo-3-thiophen-2-ylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-3-thiophen-2-ylpropanoate 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 2-Oxo-3-thiophen-2-ylpropanoate?
The CAS number of 2-Oxo-3-thiophen-2-ylpropanoate is 128562-25-4.
What is the molecular formula of 2-Oxo-3-thiophen-2-ylpropanoate?
The molecular formula of 2-Oxo-3-thiophen-2-ylpropanoate is C7H5O3S-.
What is the molecular weight of 2-Oxo-3-thiophen-2-ylpropanoate?
The molecular weight of 2-Oxo-3-thiophen-2-ylpropanoate is 169.00 g/mol.
Where can I buy 2-Oxo-3-thiophen-2-ylpropanoate?
You can request a quote for 2-Oxo-3-thiophen-2-ylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-3-thiophen-2-ylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-3-thiophen-2-ylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.