1,1,1-Triethoxyhexane
TL;DR: 1,1,1-Triethoxyhexane (CAS 79553-86-9) is a chemical compound with molecular formula C12H26O3 and molecular weight 218.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-triethoxyhexane
Also Known As: 1,1,1-triethoxyhexane
| Molecular Formula | C12H26O3 |
|---|---|
| Molecular Weight | 218.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.1882 |
| Heavy Atoms | 15 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 79553-86-9 |
|---|---|
| SMILES | CCCCCC(OCC)(OCC)OCC |
| InChIKey | RZCHZTRWLMBNGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Triethoxyhexane (CAS 79553-86-9), with molecular formula C12H26O3 and molecular weight 218.19 g/mol. IUPAC: 1,1,1-triethoxyhexane.
Chemical Property Profile of 1,1,1-Triethoxyhexane
Property Insights of 1,1,1-Triethoxyhexane
The XLogP value of 3.3 indicates that 1,1,1-Triethoxyhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1,1-Triethoxyhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Triethoxyhexane 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 1,1,1-Triethoxyhexane?
The CAS number of 1,1,1-Triethoxyhexane is 79553-86-9.
What is the molecular formula of 1,1,1-Triethoxyhexane?
The molecular formula of 1,1,1-Triethoxyhexane is C12H26O3.
What is the molecular weight of 1,1,1-Triethoxyhexane?
The molecular weight of 1,1,1-Triethoxyhexane is 218.19 g/mol.
Where can I buy 1,1,1-Triethoxyhexane?
You can request a quote for 1,1,1-Triethoxyhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Triethoxyhexane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Triethoxyhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.