3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate
TL;DR: 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate (CAS 105072-19-3) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] 3-methylbutanoate
Also Known As: 3',4'-Dimethoxycinnamylisovalerate, 3',4'-Dimethoxycinnamyl isovalerate, 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate, [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] 3-methylbutanoate, Butanoic acid, 3-methyl-, 3-(3,4-dimethoxyphenyl)-2-propenyl ester, (E)-
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.3063 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 463.5447 |
Chemical Identifiers
| CAS Number | 105072-19-3 |
|---|---|
| SMILES | CC(C)CC(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC |
Product Overview
3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate (CAS 105072-19-3), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] 3-methylbutanoate.
Chemical Property Profile of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate
Property Insights of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate
The XLogP value of 3.3063 indicates that 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate has 0 hydrogen bond donor(s) and 4 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 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate?
The CAS number of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate is 105072-19-3.
What is the molecular formula of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate?
The molecular formula of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate is C16H22O4.
What is the molecular weight of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate?
The molecular weight of 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate is 278.15 g/mol.
Where can I buy 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate?
You can request a quote for 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3',4'-Dimethoxyphenyl)prop-2-enyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.