异丁酸橙花酯
TL;DR: 异丁酸橙花酯 (CAS 2345-26-8) 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.
异丁酸橙花酯
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
Also Known As: Neryl isobutyrate, Geranyl isobutyrate, geranyl isobutanoate, neryl isobutanoate, 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 | 2345-26-8 |
|---|---|
| SMILES | CC(C)C(=O)OC/C=C(/C)\CCC=C(C)C |
Product Overview
异丁酸橙花酯 (CAS 2345-26-8), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate.
Chemical Property Profile of 异丁酸橙花酯
Property Insights of 异丁酸橙花酯
The XLogP value of 3.8783 indicates that 异丁酸橙花酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 异丁酸橙花酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁酸橙花酯 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 异丁酸橙花酯?
The CAS number of 异丁酸橙花酯 is 2345-26-8.
What is the molecular formula of 异丁酸橙花酯?
The molecular formula of 异丁酸橙花酯 is C14H24O2.
What is the molecular weight of 异丁酸橙花酯?
The molecular weight of 异丁酸橙花酯 is 224.18 g/mol.
Where can I buy 异丁酸橙花酯?
You can request a quote for 异丁酸橙花酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁酸橙花酯?
Yes, KEHONG BIO provides custom synthesis services for 异丁酸橙花酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.