2-Methoxyethyl hexanoate
TL;DR: 2-Methoxyethyl hexanoate (CAS 6319-96-6) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl hexanoate
Also Known As: 2-methoxyethyl hexanoate, Hexanoic acid, 2-methoxyethyl ester, 3-hydroxydihydropyrimidine-2,4(1h,3h)-dione, RefChem:262778
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 6319-96-6 |
|---|---|
| SMILES | CCCCCC(=O)OCCOC |
| InChIKey | WHFYLHIOEPSQJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyethyl hexanoate (CAS 6319-96-6), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2-methoxyethyl hexanoate.
Chemical Property Profile of 2-Methoxyethyl hexanoate
Property Insights of 2-Methoxyethyl hexanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl hexanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methoxyethyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyethyl hexanoate 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 2-Methoxyethyl hexanoate?
The CAS number of 2-Methoxyethyl hexanoate is 6319-96-6.
What is the molecular formula of 2-Methoxyethyl hexanoate?
The molecular formula of 2-Methoxyethyl hexanoate is C9H18O3.
What is the molecular weight of 2-Methoxyethyl hexanoate?
The molecular weight of 2-Methoxyethyl hexanoate is 174.13 g/mol.
Where can I buy 2-Methoxyethyl hexanoate?
You can request a quote for 2-Methoxyethyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.