3,5,5-Trimethylhexyl hexanoate
TL;DR: 3,5,5-Trimethylhexyl hexanoate (CAS 73019-16-6) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-3,5,5-trimethylhexyl] hexanoate
Also Known As: 3,5,5-Trimethylhexyl hexanoate, Hexanoic acid, 3,5,5-trimethylhexyl ester, [(3R)-3,5,5-trimethylhexyl] hexanoate
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 4.5723 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 203.45758 |
Chemical Identifiers
| CAS Number | 73019-16-6 |
|---|---|
| SMILES | CCCCCC(=O)OCC[C@H](C)CC(C)(C)C |
Product Overview
3,5,5-Trimethylhexyl hexanoate (CAS 73019-16-6), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: [(3R)-3,5,5-trimethylhexyl] hexanoate.
Chemical Property Profile of 3,5,5-Trimethylhexyl hexanoate
Property Insights of 3,5,5-Trimethylhexyl hexanoate
The XLogP value of 4.5723 indicates that 3,5,5-Trimethylhexyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5,5-Trimethylhexyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexyl hexanoate 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 3,5,5-Trimethylhexyl hexanoate?
The CAS number of 3,5,5-Trimethylhexyl hexanoate is 73019-16-6.
What is the molecular formula of 3,5,5-Trimethylhexyl hexanoate?
The molecular formula of 3,5,5-Trimethylhexyl hexanoate is C15H30O2.
What is the molecular weight of 3,5,5-Trimethylhexyl hexanoate?
The molecular weight of 3,5,5-Trimethylhexyl hexanoate is 242.22 g/mol.
Where can I buy 3,5,5-Trimethylhexyl hexanoate?
You can request a quote for 3,5,5-Trimethylhexyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.