3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate
TL;DR: 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate (CAS 47231-76-5) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)prop-2-enyl benzoate
Also Known As: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] Benzoate|2-Propen-1-ol, 3-(3,4-dimethoxyphenyl)-, benzoate
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 47231-76-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CCOC(=O)C2=CC=CC=C2)OC |
| InChIKey | LFZYARKXYLJCFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate (CAS 47231-76-5), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)prop-2-enyl benzoate.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate
Property Insights of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate
The XLogP value of 3.9 indicates that 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate 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 benzoate?
The CAS number of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate is 47231-76-5.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate?
The molecular formula of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate is C18H18O4.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate?
The molecular weight of 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate is 298.12 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate?
You can request a quote for 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)prop-2-enyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.