Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate
TL;DR: Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate (CAS 87519-08-2) is a chemical compound with molecular formula C12H24O4 and molecular weight 232.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate
Also Known As: Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate, Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate #, 3-(1-Ethoxy-ethoxy)-2-ethyl-butyric acid, ethyl ester, Butanoic acid,3-(1-ethoxyethoxy)-2-ethyl-,ethyl ester, Butanoic acid, 3-(1-ethoxyethoxy)-2-ethyl-, ethyl ester
| Molecular Formula | C12H24O4 |
|---|---|
| Molecular Weight | 232.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.16747 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 87519-08-2 |
|---|---|
| SMILES | CCC(C(C)OC(C)OCC)C(=O)OCC |
| InChIKey | DDCSLOHSGBTXRS-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate (CAS 87519-08-2), with molecular formula C12H24O4 and molecular weight 232.17 g/mol. IUPAC: ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate.
Chemical Property Profile of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate
Property Insights of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate 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-ethylbutanoate?
The CAS number of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate is 87519-08-2.
What is the molecular formula of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate?
The molecular formula of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate is C12H24O4.
What is the molecular weight of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate?
The molecular weight of Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate is 232.17 g/mol.
Where can I buy Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate?
You can request a quote for Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate 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-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1-ethoxyethoxy)-2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.