Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate
TL;DR: Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate (CAS 84696-82-2) is a chemical compound with molecular formula C14H28O3 and molecular weight 244.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-3-hydroxy-2-methylnonanoate
Also Known As: EINECS 283-689-2, ethyl 3-ethyl-3-hydroxy-2-methylnonanoate, Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate, ethyl3-ethyl-3-hydroxy-2-methylnonan-1-oate, 3-Ethyl-3-hydroxy-2-methylnonanoic acid ethyl ester
| Molecular Formula | C14H28O3 |
|---|---|
| Molecular Weight | 244.20 g/mol |
| LogP | 3.2971 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.20384 |
| Heavy Atoms | 17 |
| Complexity | 215.51286 |
Chemical Identifiers
| CAS Number | 84696-82-2 |
|---|---|
| SMILES | CCCCCCC(CC)(C(C)C(=O)OCC)O |
Product Overview
Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate (CAS 84696-82-2), with molecular formula C14H28O3 and molecular weight 244.20 g/mol. IUPAC: ethyl 3-ethyl-3-hydroxy-2-methylnonanoate.
Chemical Property Profile of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate
Property Insights of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate
The XLogP value of 3.2971 indicates that Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate has 1 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 3-ethyl-3-hydroxy-2-methylnonan-1-oate?
The CAS number of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate is 84696-82-2.
What is the molecular formula of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate?
The molecular formula of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate is C14H28O3.
What is the molecular weight of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate?
The molecular weight of Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate is 244.20 g/mol.
Where can I buy Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate?
You can request a quote for Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-ethyl-3-hydroxy-2-methylnonan-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.