Isoeugenyl isobutyrate, (E)-
TL;DR: Isoeugenyl isobutyrate, (E)- (CAS 84604-51-3) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methylpropanoate
Also Known As: Isoeugenyl isobutyrate, (E)-, ISOEUGENOL ISOBUTYRATE, (E)-isoeugenyl isobutyrate, EINECS 283-332-0, Pseudoisoeugenyl-2-methyl-butyrate
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 3.2897 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 419.47556 |
Chemical Identifiers
| CAS Number | 84604-51-3 |
|---|---|
| SMILES | C/C=C/C1=CC(=C(C=C1)OC(=O)C(C)C)OC |
Product Overview
Isoeugenyl isobutyrate, (E)- (CAS 84604-51-3), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methylpropanoate.
Chemical Property Profile of Isoeugenyl isobutyrate, (E)-
Property Insights of Isoeugenyl isobutyrate, (E)-
The XLogP value of 3.2897 indicates that Isoeugenyl isobutyrate, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Isoeugenyl isobutyrate, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoeugenyl isobutyrate, (E)- has 0 hydrogen bond donor(s) and 3 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 Isoeugenyl isobutyrate, (E)-?
The CAS number of Isoeugenyl isobutyrate, (E)- is 84604-51-3.
What is the molecular formula of Isoeugenyl isobutyrate, (E)-?
The molecular formula of Isoeugenyl isobutyrate, (E)- is C14H18O3.
What is the molecular weight of Isoeugenyl isobutyrate, (E)-?
The molecular weight of Isoeugenyl isobutyrate, (E)- is 234.13 g/mol.
Where can I buy Isoeugenyl isobutyrate, (E)-?
You can request a quote for Isoeugenyl isobutyrate, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoeugenyl isobutyrate, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Isoeugenyl isobutyrate, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.