3',4',5'-Trimethoxycinnamylisovalerate
TL;DR: 3',4',5'-Trimethoxycinnamylisovalerate (CAS 105072-20-6) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] 3-methylbutanoate
Also Known As: MEGxp0_000267, 3',4',5'-Trimethoxycinnamylisovalerate, [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] 3-methylbutanoate, Butanoic acid, 3-methyl-, 3-(3,4,5-trimethoxyphenyl)-2-propenyl ester, (E)-
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 3.3149 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.16238 |
| Heavy Atoms | 22 |
| Complexity | 494.77573 |
Chemical Identifiers
| CAS Number | 105072-20-6 |
|---|---|
| SMILES | CC(C)CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
3',4',5'-Trimethoxycinnamylisovalerate (CAS 105072-20-6), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] 3-methylbutanoate.
Chemical Property Profile of 3',4',5'-Trimethoxycinnamylisovalerate
Property Insights of 3',4',5'-Trimethoxycinnamylisovalerate
The XLogP value of 3.3149 indicates that 3',4',5'-Trimethoxycinnamylisovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 3',4',5'-Trimethoxycinnamylisovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4',5'-Trimethoxycinnamylisovalerate has 0 hydrogen bond donor(s) and 5 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',4',5'-Trimethoxycinnamylisovalerate?
The CAS number of 3',4',5'-Trimethoxycinnamylisovalerate is 105072-20-6.
What is the molecular formula of 3',4',5'-Trimethoxycinnamylisovalerate?
The molecular formula of 3',4',5'-Trimethoxycinnamylisovalerate is C17H24O5.
What is the molecular weight of 3',4',5'-Trimethoxycinnamylisovalerate?
The molecular weight of 3',4',5'-Trimethoxycinnamylisovalerate is 308.16 g/mol.
Where can I buy 3',4',5'-Trimethoxycinnamylisovalerate?
You can request a quote for 3',4',5'-Trimethoxycinnamylisovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4',5'-Trimethoxycinnamylisovalerate?
Yes, KEHONG BIO provides custom synthesis services for 3',4',5'-Trimethoxycinnamylisovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.