Vanillic Acid
TL;DR: Vanillic Acid (CAS 121-34-6) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methoxybenzoic acid
Also Known As: Vanillic acid, 4-HYDROXY-3-METHOXYBENZOIC ACID, Acide vanillique, Vanillate, p-Vanillic acid
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Melting Point | 211.5 |
| Solubility | 1500 |
| Vapor Pressure | 0.0000171 [mmHg] |
Chemical Identifiers
| CAS Number | 121-34-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)O |
| InChIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillic Acid (CAS 121-34-6), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 4-hydroxy-3-methoxybenzoic acid.
Chemical Property Profile of Vanillic Acid
Property Insights of Vanillic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillic Acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanillic Acid. Following Lipinski's Rule of Five, Vanillic Acid has 2 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 Vanillic Acid?
The CAS number of Vanillic Acid is 121-34-6.
What is the molecular formula of Vanillic Acid?
The molecular formula of Vanillic Acid is C8H8O4.
What is the molecular weight of Vanillic Acid?
The molecular weight of Vanillic Acid is 168.04 g/mol.
Where can I buy Vanillic Acid?
You can request a quote for Vanillic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillic Acid?
Yes, KEHONG BIO provides custom synthesis services for Vanillic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.