Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate
TL;DR: Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate (CAS 200126-80-3) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-methylbutyl)-2-oxooxolane-3-carboxylate
Also Known As: NCIOpen2_005086, ethyl 3-(3-methylbutyl)-2-oxooxolane-3-carboxylate, ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate, 3-isopentyl-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester, ethyl 3-(3-methylbutyl)-2-oxotetrahydrofuran-3-carboxylate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 200126-80-3 |
|---|---|
| SMILES | CCOC(=O)C1(CCOC1=O)CCC(C)C |
| InChIKey | VQBFPRBRKDWJIN-UHFFFAOYSA-N |
Product Overview
Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate (CAS 200126-80-3), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: ethyl 3-(3-methylbutyl)-2-oxooxolane-3-carboxylate.
Chemical Property Profile of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate
Property Insights of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate 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 3-isopentyl-2-oxotetrahydro-3-furancarboxylate?
The CAS number of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate is 200126-80-3.
What is the molecular formula of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate?
The molecular formula of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate is C12H20O4.
What is the molecular weight of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate?
The molecular weight of Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate is 228.14 g/mol.
Where can I buy Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate?
You can request a quote for Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-isopentyl-2-oxotetrahydro-3-furancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.