2-Ethyl-3-hydroxyhexyl butanoate
TL;DR: 2-Ethyl-3-hydroxyhexyl butanoate (CAS 18618-89-8) 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.
(2-ethyl-3-hydroxyhexyl) butanoate
Also Known As: 2-ethyl-3-hydroxyhexyl butyrate, 2-Ethyl-3-hydroxyhexyl butanoate, NIOSH/MO2680000, (2-ethyl-3-hydroxyhexyl) butanoate, 2-Ethyl-1,3-hexanediol monobutyrate
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.7 |
| 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 | 168.0 |
Chemical Identifiers
| CAS Number | 18618-89-8 |
|---|---|
| SMILES | CCCC(C(CC)COC(=O)CCC)O |
| InChIKey | LDXCVXVVGCHCKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-3-hydroxyhexyl butanoate (CAS 18618-89-8), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: (2-ethyl-3-hydroxyhexyl) butanoate.
Chemical Property Profile of 2-Ethyl-3-hydroxyhexyl butanoate
Property Insights of 2-Ethyl-3-hydroxyhexyl butanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-hydroxyhexyl butanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Ethyl-3-hydroxyhexyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3-hydroxyhexyl butanoate 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-Ethyl-3-hydroxyhexyl butanoate?
The CAS number of 2-Ethyl-3-hydroxyhexyl butanoate is 18618-89-8.
What is the molecular formula of 2-Ethyl-3-hydroxyhexyl butanoate?
The molecular formula of 2-Ethyl-3-hydroxyhexyl butanoate is C12H24O3.
What is the molecular weight of 2-Ethyl-3-hydroxyhexyl butanoate?
The molecular weight of 2-Ethyl-3-hydroxyhexyl butanoate is 216.17 g/mol.
Where can I buy 2-Ethyl-3-hydroxyhexyl butanoate?
You can request a quote for 2-Ethyl-3-hydroxyhexyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3-hydroxyhexyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3-hydroxyhexyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.