3-(3,4-Dimethoxyphenyl)-2-propenal
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-propenal (CAS 58045-88-8) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)prop-2-enal
Also Known As: 3,4-Dimethoxycinnamaldehyde, 3-(3,4-Dimethoxyphenyl)-2-propenal, 3-(3,4-dimethoxyphenyl)prop-2-enal, (E)-3-(3,4-dimethoxyphenyl)acrylaldehyde, (E)-3-(3,4-dimethoxyphenyl)prop-2-enal
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 58045-88-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC=O)OC |
| InChIKey | KNUFNLWDGZQKKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-Dimethoxyphenyl)-2-propenal (CAS 58045-88-8), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)prop-2-enal.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-propenal
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-propenal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-2-propenal. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(3,4-Dimethoxyphenyl)-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-propenal has 0 hydrogen bond donor(s) and 3 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)-2-propenal?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-propenal is 58045-88-8.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-propenal?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-propenal is C11H12O3.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-propenal?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-propenal is 192.08 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-propenal?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-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-Dimethoxyphenyl)-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.