芥子醛
TL;DR: 芥子醛 (CAS 4206-58-0) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芥子醛
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
Also Known As: Sinapaldehyde, Sinapinaldehyde, Sinapyl aldehyde, 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 4206-58-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC=O |
| InChIKey | CDICDSOGTRCHMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芥子醛 (CAS 4206-58-0), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal.
Chemical Property Profile of 芥子醛
Property Insights of 芥子醛
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芥子醛. With a topological polar surface area (TPSA) of 55.8 Ų, 芥子醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芥子醛 has 1 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 芥子醛?
The CAS number of 芥子醛 is 4206-58-0.
What is the molecular formula of 芥子醛?
The molecular formula of 芥子醛 is C11H12O4.
What is the molecular weight of 芥子醛?
The molecular weight of 芥子醛 is 208.07 g/mol.
Where can I buy 芥子醛?
You can request a quote for 芥子醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芥子醛?
Yes, KEHONG BIO provides custom synthesis services for 芥子醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.