Methyl 3-oxo-3-(thiophen-2-yl)propanoate
TL;DR: Methyl 3-oxo-3-(thiophen-2-yl)propanoate (CAS 134568-16-4) is a chemical compound with molecular formula C8H8O3S and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-3-thiophen-2-ylpropanoate
Also Known As: METHYL 3-OXO-3-(THIOPHEN-2-YL)PROPANOATE, methyl 3-oxo-3-(2-thienyl)propanoate, methyl 3-oxo-3-thiophen-2-ylpropanoate, 3-Oxo-3-thiophen-2-yl-propionic acid methyl ester, methyl 2-(2-thenoyl)acetate
| Molecular Formula | C8H8O3S |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.4939 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.01941 |
| Heavy Atoms | 12 |
| Complexity | 276.5029 |
Chemical Identifiers
| CAS Number | 134568-16-4 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=CS1 |
Product Overview
Methyl 3-oxo-3-(thiophen-2-yl)propanoate (CAS 134568-16-4), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: methyl 3-oxo-3-thiophen-2-ylpropanoate.
Chemical Property Profile of Methyl 3-oxo-3-(thiophen-2-yl)propanoate
Property Insights of Methyl 3-oxo-3-(thiophen-2-yl)propanoate
The XLogP value of 1.4939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-oxo-3-(thiophen-2-yl)propanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-oxo-3-(thiophen-2-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxo-3-(thiophen-2-yl)propanoate 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 Methyl 3-oxo-3-(thiophen-2-yl)propanoate?
The CAS number of Methyl 3-oxo-3-(thiophen-2-yl)propanoate is 134568-16-4.
What is the molecular formula of Methyl 3-oxo-3-(thiophen-2-yl)propanoate?
The molecular formula of Methyl 3-oxo-3-(thiophen-2-yl)propanoate is C8H8O3S.
What is the molecular weight of Methyl 3-oxo-3-(thiophen-2-yl)propanoate?
The molecular weight of Methyl 3-oxo-3-(thiophen-2-yl)propanoate is 184.02 g/mol.
Where can I buy Methyl 3-oxo-3-(thiophen-2-yl)propanoate?
You can request a quote for Methyl 3-oxo-3-(thiophen-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxo-3-(thiophen-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxo-3-(thiophen-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.