Isoeugenyl-isovalerate
TL;DR: Isoeugenyl-isovalerate (CAS 61114-23-6) 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-1-enylphenyl) 3-methylbutanoate
Also Known As: isoeugenyl-isovalerate, Isoeugenyl isovalerate
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 61114-23-6 |
|---|---|
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)CC(C)C)OC |
| InChIKey | JNVPTYXMIALTSY-UHFFFAOYSA-N |
Product Overview
Isoeugenyl-isovalerate (CAS 61114-23-6), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (2-methoxy-4-prop-1-enylphenyl) 3-methylbutanoate.
Chemical Property Profile of Isoeugenyl-isovalerate
Property Insights of Isoeugenyl-isovalerate
The XLogP value of 3.9 indicates that Isoeugenyl-isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Isoeugenyl-isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoeugenyl-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 Isoeugenyl-isovalerate?
The CAS number of Isoeugenyl-isovalerate is 61114-23-6.
What is the molecular formula of Isoeugenyl-isovalerate?
The molecular formula of Isoeugenyl-isovalerate is C15H20O3.
What is the molecular weight of Isoeugenyl-isovalerate?
The molecular weight of Isoeugenyl-isovalerate is 248.14 g/mol.
Where can I buy Isoeugenyl-isovalerate?
You can request a quote for Isoeugenyl-isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoeugenyl-isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Isoeugenyl-isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.