3,4-Dimethoxycinnamyl acetate
TL;DR: 3,4-Dimethoxycinnamyl acetate (CAS 65401-84-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 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] acetate
Also Known As: 3,4-Dimethoxycinnamyl acetate, 3,4-Dimethylcinnamylacetat, trans-3,4-dimethoxycinnamyl acetate, [(E)-3-(3,4-dimethoxyphenyl)allyl] acetate, [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.2801 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 409.88052 |
Chemical Identifiers
| CAS Number | 65401-84-5 |
|---|---|
| SMILES | CC(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC |
Product Overview
3,4-Dimethoxycinnamyl acetate (CAS 65401-84-5), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate.
Chemical Property Profile of 3,4-Dimethoxycinnamyl acetate
Property Insights of 3,4-Dimethoxycinnamyl acetate
The XLogP value of 2.2801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxycinnamyl acetate. With a topological polar surface area (TPSA) of 44.76 Ų, 3,4-Dimethoxycinnamyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxycinnamyl acetate 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 3,4-Dimethoxycinnamyl acetate?
The CAS number of 3,4-Dimethoxycinnamyl acetate is 65401-84-5.
What is the molecular formula of 3,4-Dimethoxycinnamyl acetate?
The molecular formula of 3,4-Dimethoxycinnamyl acetate is C13H16O4.
What is the molecular weight of 3,4-Dimethoxycinnamyl acetate?
The molecular weight of 3,4-Dimethoxycinnamyl acetate is 236.10 g/mol.
Where can I buy 3,4-Dimethoxycinnamyl acetate?
You can request a quote for 3,4-Dimethoxycinnamyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxycinnamyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxycinnamyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.