Geranyl hexanoate
TL;DR: Geranyl hexanoate (CAS 68310-59-8) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate
Also Known As: Geranyl caproate, Geranyl hexanoate, Neryl caproate, Neryl hexanoate, Geranyl capronate
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 4.8026 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 283.47208 |
Chemical Identifiers
| CAS Number | 68310-59-8 |
|---|---|
| SMILES | CCCCCC(=O)OC/C=C(\C)/CCC=C(C)C |
Product Overview
Geranyl hexanoate (CAS 68310-59-8), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: [(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate.
Chemical Property Profile of Geranyl hexanoate
Property Insights of Geranyl hexanoate
The XLogP value of 4.8026 indicates that Geranyl 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, Geranyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Geranyl 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 Geranyl hexanoate?
The CAS number of Geranyl hexanoate is 68310-59-8.
What is the molecular formula of Geranyl hexanoate?
The molecular formula of Geranyl hexanoate is C16H28O2.
What is the molecular weight of Geranyl hexanoate?
The molecular weight of Geranyl hexanoate is 252.21 g/mol.
Where can I buy Geranyl hexanoate?
You can request a quote for Geranyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geranyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Geranyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.