Ethyl 2-methyl-3-oxooctanoate
TL;DR: Ethyl 2-methyl-3-oxooctanoate (CAS 10488-94-5) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3-oxooctanoate
Also Known As: ethyl 2-methyl-3-oxooctanoate, Ethyl 2-methyl-3-oxo-octanoate, 2-Methyl-3-oxooctanoic acid ethyl ester, J2.100.847H
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.335 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 186.97166 |
Chemical Identifiers
| CAS Number | 10488-94-5 |
|---|---|
| SMILES | CCCCCC(=O)C(C)C(=O)OCC |
Product Overview
Ethyl 2-methyl-3-oxooctanoate (CAS 10488-94-5), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: ethyl 2-methyl-3-oxooctanoate.
Chemical Property Profile of Ethyl 2-methyl-3-oxooctanoate
Property Insights of Ethyl 2-methyl-3-oxooctanoate
The XLogP value of 2.335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-oxooctanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-methyl-3-oxooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-oxooctanoate has 0 hydrogen bond donor(s) and 3 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-methyl-3-oxooctanoate?
The CAS number of Ethyl 2-methyl-3-oxooctanoate is 10488-94-5.
What is the molecular formula of Ethyl 2-methyl-3-oxooctanoate?
The molecular formula of Ethyl 2-methyl-3-oxooctanoate is C11H20O3.
What is the molecular weight of Ethyl 2-methyl-3-oxooctanoate?
The molecular weight of Ethyl 2-methyl-3-oxooctanoate is 200.14 g/mol.
Where can I buy Ethyl 2-methyl-3-oxooctanoate?
You can request a quote for Ethyl 2-methyl-3-oxooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-oxooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-oxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.