Ethyl 3-hydroxy-3-methylnonanoate
TL;DR: Ethyl 3-hydroxy-3-methylnonanoate (CAS 6322-43-6) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-3-methylnonanoate
Also Known As: ethyl 3-hydroxy-3-methylnonanoate, ethyl 3-methyl-3-hydroxynonanoate, ethyl 3-hydroxy-3-methyl-n-nonanoate, Ethyl-3-hydroxy-3-methyl-n-nonanoate, Nonanoic acid,3-hydroxy-3-methyl-, ethyl ester
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 6322-43-6 |
|---|---|
| SMILES | CCCCCCC(C)(CC(=O)OCC)O |
| InChIKey | NXRBXPDEFDUATB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-hydroxy-3-methylnonanoate (CAS 6322-43-6), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: ethyl 3-hydroxy-3-methylnonanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-methylnonanoate
Property Insights of Ethyl 3-hydroxy-3-methylnonanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-methylnonanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-hydroxy-3-methylnonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-methylnonanoate 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-hydroxy-3-methylnonanoate?
The CAS number of Ethyl 3-hydroxy-3-methylnonanoate is 6322-43-6.
What is the molecular formula of Ethyl 3-hydroxy-3-methylnonanoate?
The molecular formula of Ethyl 3-hydroxy-3-methylnonanoate is C12H24O3.
What is the molecular weight of Ethyl 3-hydroxy-3-methylnonanoate?
The molecular weight of Ethyl 3-hydroxy-3-methylnonanoate is 216.17 g/mol.
Where can I buy Ethyl 3-hydroxy-3-methylnonanoate?
You can request a quote for Ethyl 3-hydroxy-3-methylnonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3-methylnonanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-methylnonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.