Ethyl 2-methyl-3-oxononanoate
TL;DR: Ethyl 2-methyl-3-oxononanoate (CAS 2867-60-9) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3-oxononanoate
Also Known As: Ethyl 2-methyl-3-oxo-nonanoate, ethyl 2-methyl-3-oxononanoate, 2-Methyl-3-oxononanoic acid ethyl ester
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.7251 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 199.04391 |
Chemical Identifiers
| CAS Number | 2867-60-9 |
|---|---|
| SMILES | CCCCCCC(=O)C(C)C(=O)OCC |
Product Overview
Ethyl 2-methyl-3-oxononanoate (CAS 2867-60-9), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 2-methyl-3-oxononanoate.
Chemical Property Profile of Ethyl 2-methyl-3-oxononanoate
Property Insights of Ethyl 2-methyl-3-oxononanoate
The XLogP value of 2.7251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-oxononanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-methyl-3-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-oxononanoate 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-oxononanoate?
The CAS number of Ethyl 2-methyl-3-oxononanoate is 2867-60-9.
What is the molecular formula of Ethyl 2-methyl-3-oxononanoate?
The molecular formula of Ethyl 2-methyl-3-oxononanoate is C12H22O3.
What is the molecular weight of Ethyl 2-methyl-3-oxononanoate?
The molecular weight of Ethyl 2-methyl-3-oxononanoate is 214.16 g/mol.
Where can I buy Ethyl 2-methyl-3-oxononanoate?
You can request a quote for Ethyl 2-methyl-3-oxononanoate 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-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.