Ethyl 2-ethyl-3-methylbutanoate
TL;DR: Ethyl 2-ethyl-3-methylbutanoate (CAS 63791-85-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethyl-3-methylbutanoate
Also Known As: ethyl 2-ethyl-3-methylbutanoate, ethyl 2-isopropylbutanoate, 2-Ethyl-3-methyl-butanoic acidethylester, Butanoic acid, 2-ethyl-3-methyl, ethyl ester, 2-Ethyl-3-methylbutanoic acid ethyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 63791-85-5 |
|---|---|
| SMILES | CCC(C(C)C)C(=O)OCC |
| InChIKey | LQQJUPMYOFCSCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethyl-3-methylbutanoate (CAS 63791-85-5), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: ethyl 2-ethyl-3-methylbutanoate.
Chemical Property Profile of Ethyl 2-ethyl-3-methylbutanoate
Property Insights of Ethyl 2-ethyl-3-methylbutanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethyl-3-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-ethyl-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethyl-3-methylbutanoate has 0 hydrogen bond donor(s) and 2 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 2-ethyl-3-methylbutanoate?
The CAS number of Ethyl 2-ethyl-3-methylbutanoate is 63791-85-5.
What is the molecular formula of Ethyl 2-ethyl-3-methylbutanoate?
The molecular formula of Ethyl 2-ethyl-3-methylbutanoate is C9H18O2.
What is the molecular weight of Ethyl 2-ethyl-3-methylbutanoate?
The molecular weight of Ethyl 2-ethyl-3-methylbutanoate is 158.13 g/mol.
Where can I buy Ethyl 2-ethyl-3-methylbutanoate?
You can request a quote for Ethyl 2-ethyl-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethyl-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethyl-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.