Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate
TL;DR: Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate (CAS 16807-50-4) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
Also Known As: ethyl 2-(2-methyl-5-oxooxolan-2-yl)acetate, Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate, ethyl(2-methyl-5-oxotetrahydrofuran-2-yl)acetate, Ethyl (2-methyl-5-oxooxolan-2-yl)acetate, 2-Furanacetic acid,tetrahydro-2-methyl-5-oxo-, ethyl ester
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 16807-50-4 |
|---|---|
| SMILES | CCOC(=O)CC1(CCC(=O)O1)C |
| InChIKey | XPHDAEADNYTVAU-UHFFFAOYSA-N |
Product Overview
Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate (CAS 16807-50-4), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: ethyl 2-(2-methyl-5-oxooxolan-2-yl)acetate.
Chemical Property Profile of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate
Property Insights of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate 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 Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate?
The CAS number of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate is 16807-50-4.
What is the molecular formula of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate?
The molecular formula of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate is C9H14O4.
What is the molecular weight of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate?
The molecular weight of Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate is 186.09 g/mol.
Where can I buy Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate?
You can request a quote for Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl tetrahydro-2-methyl-5-oxofuran-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.