Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate
TL;DR: Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate (CAS 86845-49-0) is a chemical compound with molecular formula C11H22O4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate
Also Known As: Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate, Butanoicacid,3- -2-methyl-,ethylester, Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate #, Butanoic acid, 3-(1-ethoxyethoxy)-2-methyl-, ethyl ester, (2R,3R)-3-(1-Ethoxyethoxy)-2-methylbuttersaeure-ethylester
| Molecular Formula | C11H22O4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.15181 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 86845-49-0 |
|---|---|
| SMILES | CCOC(C)OC(C)C(C)C(=O)OCC |
| InChIKey | PFNDFRMGKYXRMM-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate (CAS 86845-49-0), with molecular formula C11H22O4 and molecular weight 218.15 g/mol. IUPAC: ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate.
Chemical Property Profile of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate
Property Insights of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate 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-(1-ethoxyethoxy)-2-methylbutanoate?
The CAS number of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate is 86845-49-0.
What is the molecular formula of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate?
The molecular formula of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate is C11H22O4.
What is the molecular weight of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate?
The molecular weight of Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate is 218.15 g/mol.
Where can I buy Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate?
You can request a quote for Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.