Eugenol isovalerate
TL;DR: Eugenol isovalerate (CAS 61114-24-7) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate
Also Known As: Eugenyl isovalerate, Eugenol isovalerate, 4-Allyl-2-methoxyphenyl isovalerate, 4-Allyl-2-methoxyphenyl 3-methylbutanoate, EINECS 262-613-1
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.3752 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 421.74692 |
Chemical Identifiers
| CAS Number | 61114-24-7 |
|---|---|
| SMILES | CC(C)CC(=O)OC1=C(C=C(C=C1)CC=C)OC |
Product Overview
Eugenol isovalerate (CAS 61114-24-7), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate.
Chemical Property Profile of Eugenol isovalerate
Property Insights of Eugenol isovalerate
The XLogP value of 3.3752 indicates that Eugenol isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Eugenol isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eugenol isovalerate 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 Eugenol isovalerate?
The CAS number of Eugenol isovalerate is 61114-24-7.
What is the molecular formula of Eugenol isovalerate?
The molecular formula of Eugenol isovalerate is C15H20O3.
What is the molecular weight of Eugenol isovalerate?
The molecular weight of Eugenol isovalerate is 248.14 g/mol.
Where can I buy Eugenol isovalerate?
You can request a quote for Eugenol isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eugenol isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Eugenol isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.