Geranyl isobutyrate
TL;DR: Geranyl isobutyrate (CAS 1188-06-3) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 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] 2-methylpropanoate
Also Known As: Geranyl isobutyrate, geranyl isobutanoate, Neryl isobutyrate, Geraniol isobutyrate, Geranyl 2-methylpropanoate
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 3.8783 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 268.45993 |
Chemical Identifiers
| CAS Number | 1188-06-3 |
|---|---|
| SMILES | CC(C)C(=O)OC/C=C(\C)/CCC=C(C)C |
Product Overview
Geranyl isobutyrate (CAS 1188-06-3), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate.
Chemical Property Profile of Geranyl isobutyrate
Property Insights of Geranyl isobutyrate
The XLogP value of 3.8783 indicates that Geranyl isobutyrate 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 isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Geranyl 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 Geranyl isobutyrate?
The CAS number of Geranyl isobutyrate is 1188-06-3.
What is the molecular formula of Geranyl isobutyrate?
The molecular formula of Geranyl isobutyrate is C14H24O2.
What is the molecular weight of Geranyl isobutyrate?
The molecular weight of Geranyl isobutyrate is 224.18 g/mol.
Where can I buy Geranyl isobutyrate?
You can request a quote for Geranyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geranyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Geranyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.