Isoferulaldehyde
TL;DR: Isoferulaldehyde (CAS 333754-86-2) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enal
Also Known As: Isoferulaldehyde, 3-(3-hydroxy-4-methoxyphenyl)prop-2-enal, 3-hydroxy-4-methoxycinnamaldehyde, 3-hydroxy-4-methoxycinnamaladehyde, 3-(3-Hydroxy-4-methoxyphenyl)propenal
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.6129 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 328.94177 |
Chemical Identifiers
| CAS Number | 333754-86-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C=O)O |
Product Overview
Isoferulaldehyde (CAS 333754-86-2), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enal.
Chemical Property Profile of Isoferulaldehyde
Property Insights of Isoferulaldehyde
The XLogP value of 1.6129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoferulaldehyde. With a topological polar surface area (TPSA) of 46.53 Ų, Isoferulaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoferulaldehyde has 1 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 Isoferulaldehyde?
The CAS number of Isoferulaldehyde is 333754-86-2.
What is the molecular formula of Isoferulaldehyde?
The molecular formula of Isoferulaldehyde is C10H10O3.
What is the molecular weight of Isoferulaldehyde?
The molecular weight of Isoferulaldehyde is 178.06 g/mol.
Where can I buy Isoferulaldehyde?
You can request a quote for Isoferulaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoferulaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Isoferulaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.