Octane-1,4,7-triyl tripropanoate
TL;DR: Octane-1,4,7-triyl tripropanoate (CAS 66611-99-2) is a chemical compound with molecular formula C17H30O6 and molecular weight 330.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-di(propanoyloxy)octyl propanoate
Also Known As: octane-1,4,7-triyl tripropanoate, 4,7-di(propanoyloxy)octyl propanoate, 1,4,7-tris-propionyloxy-octane, 1,4,7-Octanetriol,1,4,7-tripropanoate
| Molecular Formula | C17H30O6 |
|---|---|
| Molecular Weight | 330.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 330.20422 |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 66611-99-2 |
|---|---|
| SMILES | CCC(=O)OCCCC(CCC(C)OC(=O)CC)OC(=O)CC |
| InChIKey | GWFJIGMSCAUYFP-UHFFFAOYSA-N |
Product Overview
Octane-1,4,7-triyl tripropanoate (CAS 66611-99-2), with molecular formula C17H30O6 and molecular weight 330.20 g/mol. IUPAC: 4,7-di(propanoyloxy)octyl propanoate.
Chemical Property Profile of Octane-1,4,7-triyl tripropanoate
Property Insights of Octane-1,4,7-triyl tripropanoate
The XLogP value of 3.2 indicates that Octane-1,4,7-triyl tripropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Octane-1,4,7-triyl tripropanoate. Following Lipinski's Rule of Five, Octane-1,4,7-triyl tripropanoate has 0 hydrogen bond donor(s) and 6 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 Octane-1,4,7-triyl tripropanoate?
The CAS number of Octane-1,4,7-triyl tripropanoate is 66611-99-2.
What is the molecular formula of Octane-1,4,7-triyl tripropanoate?
The molecular formula of Octane-1,4,7-triyl tripropanoate is C17H30O6.
What is the molecular weight of Octane-1,4,7-triyl tripropanoate?
The molecular weight of Octane-1,4,7-triyl tripropanoate is 330.20 g/mol.
Where can I buy Octane-1,4,7-triyl tripropanoate?
You can request a quote for Octane-1,4,7-triyl tripropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane-1,4,7-triyl tripropanoate?
Yes, KEHONG BIO provides custom synthesis services for Octane-1,4,7-triyl tripropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.