5,7,7-Trimethyl-1-octyl propionate
TL;DR: 5,7,7-Trimethyl-1-octyl propionate (CAS 86606-44-2) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,7-trimethyloctyl propanoate
Also Known As: 5,7,7-Trimethyl-1-octyl propionate, 5,7,7-trimethyloctyl propanoate, EINECS 289-260-6, 5,7,7-trimethyl-1-octylpropionate, 5,7,7-trimethyloctyl propionate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.1822 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 191.40225 |
Chemical Identifiers
| CAS Number | 86606-44-2 |
|---|---|
| SMILES | CCC(=O)OCCCCC(C)CC(C)(C)C |
Product Overview
5,7,7-Trimethyl-1-octyl propionate (CAS 86606-44-2), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 5,7,7-trimethyloctyl propanoate.
Chemical Property Profile of 5,7,7-Trimethyl-1-octyl propionate
Property Insights of 5,7,7-Trimethyl-1-octyl propionate
The XLogP value of 4.1822 indicates that 5,7,7-Trimethyl-1-octyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5,7,7-Trimethyl-1-octyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,7-Trimethyl-1-octyl propionate 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 5,7,7-Trimethyl-1-octyl propionate?
The CAS number of 5,7,7-Trimethyl-1-octyl propionate is 86606-44-2.
What is the molecular formula of 5,7,7-Trimethyl-1-octyl propionate?
The molecular formula of 5,7,7-Trimethyl-1-octyl propionate is C14H28O2.
What is the molecular weight of 5,7,7-Trimethyl-1-octyl propionate?
The molecular weight of 5,7,7-Trimethyl-1-octyl propionate is 228.21 g/mol.
Where can I buy 5,7,7-Trimethyl-1-octyl propionate?
You can request a quote for 5,7,7-Trimethyl-1-octyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,7-Trimethyl-1-octyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 5,7,7-Trimethyl-1-octyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.