Sinapaldehyde
TL;DR: Sinapaldehyde (CAS 87345-53-7) 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.
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
Also Known As: Sinapaldehyde, Sinapinaldehyde, Sinapyl aldehyde, Sinapoyl aldehyde, trans-Sinapaldehyde
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6215 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 357.16946 |
Chemical Identifiers
| CAS Number | 87345-53-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C=O |
Product Overview
Sinapaldehyde (CAS 87345-53-7), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal.
Chemical Property Profile of Sinapaldehyde
Property Insights of Sinapaldehyde
The XLogP value of 1.6215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sinapaldehyde. With a topological polar surface area (TPSA) of 55.76 Ų, Sinapaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sinapaldehyde 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 Sinapaldehyde?
The CAS number of Sinapaldehyde is 87345-53-7.
What is the molecular formula of Sinapaldehyde?
The molecular formula of Sinapaldehyde is C11H12O4.
What is the molecular weight of Sinapaldehyde?
The molecular weight of Sinapaldehyde is 208.07 g/mol.
Where can I buy Sinapaldehyde?
You can request a quote for Sinapaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinapaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Sinapaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.