Prenyl caproate
TL;DR: Prenyl caproate (CAS 76649-22-4) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl hexanoate
Also Known As: Prenyl caproate, Prenyl hexanoate, 3-Methylbut-2-enyl hexanoate, PRENYLCAPROATE, Hydrocortisone caproate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| Density | 0.880-0.888 |
| Solubility | Practically insoluble to insoluble in water |
| Refractive Index | 1.434-1.440 |
Chemical Identifiers
| CAS Number | 76649-22-4 |
|---|---|
| SMILES | CCCCCC(=O)OCC=C(C)C |
| InChIKey | MUVXQQVJNUBWPF-UHFFFAOYSA-N |
Product Overview
Prenyl caproate (CAS 76649-22-4), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 3-methylbut-2-enyl hexanoate.
Chemical Property Profile of Prenyl caproate
Property Insights of Prenyl caproate
The XLogP value of 3.5 indicates that Prenyl caproate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Prenyl caproate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prenyl caproate 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 Prenyl caproate?
The CAS number of Prenyl caproate is 76649-22-4.
What is the molecular formula of Prenyl caproate?
The molecular formula of Prenyl caproate is C11H20O2.
What is the molecular weight of Prenyl caproate?
The molecular weight of Prenyl caproate is 184.15 g/mol.
Where can I buy Prenyl caproate?
You can request a quote for Prenyl caproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prenyl caproate?
Yes, KEHONG BIO provides custom synthesis services for Prenyl caproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.