![[2-Oxo-2-(3-thienyl)ethyl]malonic acid structure](/static/products/150/1505-48-2.png)
[2-Oxo-2-(3-thienyl)ethyl]malonic acid
TL;DR: [2-Oxo-2-(3-thienyl)ethyl]malonic acid (CAS 1505-48-2) is a chemical compound with molecular formula C9H8O5S and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid
Also Known As: [2-Oxo-2-(3-thienyl)ethyl]malonic acid, 2-[2-oxo-2-(3-thienyl)ethyl]malonic acid, 2-[2-oxo-2-(3-thienyl) ethyl]malonic acid, 2-[2-oxo-2-(3-thienyl) ethyl] malonic acid, 2-(2-oxo-2-(thiophen-3-yl)ethyl)malonic acid
| Molecular Formula | C9H8O5S |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 1.1063 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.00925 |
| Heavy Atoms | 15 |
| Complexity | 367.2168 |
Chemical Identifiers
| CAS Number | 1505-48-2 |
|---|---|
| SMILES | C1=CSC=C1C(=O)CC(C(=O)O)C(=O)O |
Product Overview
[2-Oxo-2-(3-thienyl)ethyl]malonic acid (CAS 1505-48-2), with molecular formula C9H8O5S and molecular weight 228.01 g/mol. IUPAC: 2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid.
Chemical Property Profile of [2-Oxo-2-(3-thienyl)ethyl]malonic acid
Property Insights of [2-Oxo-2-(3-thienyl)ethyl]malonic acid
The XLogP value of 1.1063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Oxo-2-(3-thienyl)ethyl]malonic acid. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Oxo-2-(3-thienyl)ethyl]malonic acid. Following Lipinski's Rule of Five, [2-Oxo-2-(3-thienyl)ethyl]malonic acid has 2 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-2-(3-thienyl)ethyl]malonic acid?
The CAS number of [2-Oxo-2-(3-thienyl)ethyl]malonic acid is 1505-48-2.
What is the molecular formula of [2-Oxo-2-(3-thienyl)ethyl]malonic acid?
The molecular formula of [2-Oxo-2-(3-thienyl)ethyl]malonic acid is C9H8O5S.
What is the molecular weight of [2-Oxo-2-(3-thienyl)ethyl]malonic acid?
The molecular weight of [2-Oxo-2-(3-thienyl)ethyl]malonic acid is 228.01 g/mol.
Where can I buy [2-Oxo-2-(3-thienyl)ethyl]malonic acid?
You can request a quote for [2-Oxo-2-(3-thienyl)ethyl]malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Oxo-2-(3-thienyl)ethyl]malonic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-Oxo-2-(3-thienyl)ethyl]malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.