3-(3,4,5-Trimethoxyphenyl)-2-propenal
TL;DR: 3-(3,4,5-Trimethoxyphenyl)-2-propenal (CAS 34346-90-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)prop-2-enal
Also Known As: 3,4,5-Trimethoxycinnamaldehyde, Spectrum2_001840, Spectrum3_001286, Spectrum4_001481, DivK1c_006130
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 34346-90-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC=O |
| InChIKey | XDSHNNRBLSBDAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4,5-Trimethoxyphenyl)-2-propenal (CAS 34346-90-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)prop-2-enal.
Chemical Property Profile of 3-(3,4,5-Trimethoxyphenyl)-2-propenal
Property Insights of 3-(3,4,5-Trimethoxyphenyl)-2-propenal
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4,5-Trimethoxyphenyl)-2-propenal. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(3,4,5-Trimethoxyphenyl)-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4,5-Trimethoxyphenyl)-2-propenal 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-(3,4,5-Trimethoxyphenyl)-2-propenal?
The CAS number of 3-(3,4,5-Trimethoxyphenyl)-2-propenal is 34346-90-2.
What is the molecular formula of 3-(3,4,5-Trimethoxyphenyl)-2-propenal?
The molecular formula of 3-(3,4,5-Trimethoxyphenyl)-2-propenal is C12H14O4.
What is the molecular weight of 3-(3,4,5-Trimethoxyphenyl)-2-propenal?
The molecular weight of 3-(3,4,5-Trimethoxyphenyl)-2-propenal is 222.09 g/mol.
Where can I buy 3-(3,4,5-Trimethoxyphenyl)-2-propenal?
You can request a quote for 3-(3,4,5-Trimethoxyphenyl)-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4,5-Trimethoxyphenyl)-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4,5-Trimethoxyphenyl)-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.