Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate
TL;DR: Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate (CAS 53252-54-3) is a chemical compound with molecular formula C11H14O6 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-2,5-dimethyl-4-oxofuran-3-carboxylate
Also Known As: ethyl 5-acetyloxy-2,5-dimethyl-4-oxofuran-3-carboxylate, Ethyl 5-acetoxy-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate, ethyl 5-acetyloxy-2,5-dimethyl-4-oxo-furan-3-carboxylate, Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate, 5-acetoxy-2,5-dimethyl-4-oxo-4,5-dihydro-furan-3-carboxylic acid ethyl ester
| Molecular Formula | C11H14O6 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07904 |
| Heavy Atoms | 17 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 53252-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(C1=O)(C)OC(=O)C)C |
| InChIKey | RKGRDXFLOPMTCD-UHFFFAOYSA-N |
Product Overview
Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate (CAS 53252-54-3), with molecular formula C11H14O6 and molecular weight 242.08 g/mol. IUPAC: ethyl 5-acetyloxy-2,5-dimethyl-4-oxofuran-3-carboxylate.
Chemical Property Profile of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate
Property Insights of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate?
The CAS number of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate is 53252-54-3.
What is the molecular formula of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate?
The molecular formula of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate is C11H14O6.
What is the molecular weight of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate?
The molecular weight of Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate is 242.08 g/mol.
Where can I buy Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate?
You can request a quote for Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(acetyloxy)-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.