丁基己基醚
TL;DR: 丁基己基醚 (CAS 54459-71-1) is a chemical compound with molecular formula C10H22O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基己基醚
1-butoxyhexane
Also Known As: 1-Butoxyhexane, butyl hexyl ether, Hexane, 1-butoxy-, 1-butoxy-hexane, 5-oxahendecan
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 54459-71-1 |
|---|---|
| SMILES | CCCCCCOCCCC |
| InChIKey | QCYFOZWGXKXDJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基己基醚 (CAS 54459-71-1), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 1-butoxyhexane.
Chemical Property Profile of 丁基己基醚
Property Insights of 丁基己基醚
The XLogP value of 3.7 indicates that 丁基己基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 丁基己基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基己基醚 has 0 hydrogen bond donor(s) and 1 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 丁基己基醚?
The CAS number of 丁基己基醚 is 54459-71-1.
What is the molecular formula of 丁基己基醚?
The molecular formula of 丁基己基醚 is C10H22O.
What is the molecular weight of 丁基己基醚?
The molecular weight of 丁基己基醚 is 158.17 g/mol.
Where can I buy 丁基己基醚?
You can request a quote for 丁基己基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基己基醚?
Yes, KEHONG BIO provides custom synthesis services for 丁基己基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.