Diferulic acid
TL;DR: Diferulic acid (CAS 5649-91-2) is a chemical compound with molecular formula C20H18O8 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[5-(2-carboxyethenyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid
Also Known As: Diferulic acid, 3,3'-(6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)di(prop-2-enoic acid), 3-[3-[5-(2-carboxyethenyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid, (2E,2'E)-3,3'-(6,6'-dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-diyl)diacrylic acid, 2-Propenoic acid,3,3'-(6,6'-dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis-
| Molecular Formula | C20H18O8 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.10016 |
| Heavy Atoms | 28 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 5649-91-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C=CC(=O)O)OC)O)C=CC(=O)O |
| InChIKey | LBQZVWQOPFFQJI-UHFFFAOYSA-N |
Product Overview
Diferulic acid (CAS 5649-91-2), with molecular formula C20H18O8 and molecular weight 386.10 g/mol. IUPAC: 3-[3-[5-(2-carboxyethenyl)-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of Diferulic acid
Property Insights of Diferulic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diferulic acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diferulic acid. Following Lipinski's Rule of Five, Diferulic acid has 4 hydrogen bond donor(s) and 8 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 Diferulic acid?
The CAS number of Diferulic acid is 5649-91-2.
What is the molecular formula of Diferulic acid?
The molecular formula of Diferulic acid is C20H18O8.
What is the molecular weight of Diferulic acid?
The molecular weight of Diferulic acid is 386.10 g/mol.
Where can I buy Diferulic acid?
You can request a quote for Diferulic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diferulic acid?
Yes, KEHONG BIO provides custom synthesis services for Diferulic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.