2-羟基己酸乙酯
TL;DR: 2-羟基己酸乙酯 (CAS 52089-55-1) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基己酸乙酯
ethyl 2-hydroxyhexanoate
Also Known As: Ethyl 2-hydroxyhexanoate, Ethyl 2-hydroxycaproate, Ethyl dl-2-hydroxycaproate, ethyl-2-hydroxyhexanoate, ETHYL2-HYDROXYCAPROATE
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 52089-55-1 |
|---|---|
| SMILES | CCCCC(C(=O)OCC)O |
| InChIKey | MRYSSTRVUMCKKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基己酸乙酯 (CAS 52089-55-1), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: ethyl 2-hydroxyhexanoate.
Chemical Property Profile of 2-羟基己酸乙酯
Property Insights of 2-羟基己酸乙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基己酸乙酯. With a topological polar surface area (TPSA) of 46.5 Ų, 2-羟基己酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-羟基己酸乙酯 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 2-羟基己酸乙酯?
The CAS number of 2-羟基己酸乙酯 is 52089-55-1.
What is the molecular formula of 2-羟基己酸乙酯?
The molecular formula of 2-羟基己酸乙酯 is C8H16O3.
What is the molecular weight of 2-羟基己酸乙酯?
The molecular weight of 2-羟基己酸乙酯 is 160.11 g/mol.
Where can I buy 2-羟基己酸乙酯?
You can request a quote for 2-羟基己酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基己酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基己酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.