Prenyl isobutyrate
TL;DR: Prenyl isobutyrate (CAS 76649-23-5) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl 2-methylpropanoate
Also Known As: Prenyl isobutyrate, 3-Methylbut-2-enyl isobutyrate, 3-methylbut-2-enyl 2-methylpropanoate, FEMA NO. 4206, PRENYL ISOBUTYRATE [FHFI]
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| Density | 0.887-0.896 |
| Solubility | Practically insoluble to insoluble in water |
| Refractive Index | 1.427-1.434 |
Chemical Identifiers
| CAS Number | 76649-23-5 |
|---|---|
| SMILES | CC(C)C(=O)OCC=C(C)C |
| InChIKey | YSJHMPXIMIOXGU-UHFFFAOYSA-N |
Product Overview
Prenyl isobutyrate (CAS 76649-23-5), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 3-methylbut-2-enyl 2-methylpropanoate.
Chemical Property Profile of Prenyl isobutyrate
Property Insights of Prenyl isobutyrate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prenyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Prenyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prenyl isobutyrate 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 isobutyrate?
The CAS number of Prenyl isobutyrate is 76649-23-5.
What is the molecular formula of Prenyl isobutyrate?
The molecular formula of Prenyl isobutyrate is C9H16O2.
What is the molecular weight of Prenyl isobutyrate?
The molecular weight of Prenyl isobutyrate is 156.12 g/mol.
Where can I buy Prenyl isobutyrate?
You can request a quote for Prenyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prenyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Prenyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.