Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate
TL;DR: Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate (CAS 67498-38-8) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-oxofuran-3-carboxylate
Also Known As: Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate, ethyl 5,5-dimethyl-2-oxofuran-3-carboxylate, J3.164.842D, ETHYL 5,5-DIMETHYL-2-OXO-FURAN-3-CARBOXYLATE, 5,5-Dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid ethyl ester
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 67498-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(OC1=O)(C)C |
| InChIKey | UPSCNRAMJCKATF-UHFFFAOYSA-N |
Product Overview
Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate (CAS 67498-38-8), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: ethyl 5,5-dimethyl-2-oxofuran-3-carboxylate.
Chemical Property Profile of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate
Property Insights of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate 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 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate?
The CAS number of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate is 67498-38-8.
What is the molecular formula of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate?
The molecular formula of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate is C9H12O4.
What is the molecular weight of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate?
The molecular weight of Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate is 184.07 g/mol.
Where can I buy Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate?
You can request a quote for Ethyl 5,5-dimethyl-2-oxo-2,5-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 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.