Hexyl 2-ethylbutanoate
TL;DR: Hexyl 2-ethylbutanoate (CAS 79868-50-1) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-ethylbutanoate
Also Known As: hexyl 2-ethylbutanoate, 2-Ethylbutyric acid, hexyl ester, Butanoic acid,2-ethyl-, hexyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 79868-50-1 |
|---|---|
| SMILES | CCCCCCOC(=O)C(CC)CC |
| InChIKey | SXIUQXQCWYCRQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 2-ethylbutanoate (CAS 79868-50-1), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: hexyl 2-ethylbutanoate.
Chemical Property Profile of Hexyl 2-ethylbutanoate
Property Insights of Hexyl 2-ethylbutanoate
The XLogP value of 4.2 indicates that Hexyl 2-ethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-ethylbutanoate has 0 hydrogen bond donor(s) and 2 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 Hexyl 2-ethylbutanoate?
The CAS number of Hexyl 2-ethylbutanoate is 79868-50-1.
What is the molecular formula of Hexyl 2-ethylbutanoate?
The molecular formula of Hexyl 2-ethylbutanoate is C12H24O2.
What is the molecular weight of Hexyl 2-ethylbutanoate?
The molecular weight of Hexyl 2-ethylbutanoate is 200.18 g/mol.
Where can I buy Hexyl 2-ethylbutanoate?
You can request a quote for Hexyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.