Vanillic acid 4-sulfate
TL;DR: Vanillic acid 4-sulfate (CAS 71235-86-4) is a chemical compound with molecular formula C8H8O7S and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-sulfooxybenzoic acid
Also Known As: Vanillic acid 4-sulfate, vanillic acid sulfate, Vanillic acid 4-O-sulfate, 3-methoxy-4-sulfooxybenzoic acid, 3-methoxy-4-(sulfooxy)benzoic acid
| Molecular Formula | C8H8O7S |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.99907 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 71235-86-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)O |
| InChIKey | TXRKUXPAEPOCIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillic acid 4-sulfate (CAS 71235-86-4), with molecular formula C8H8O7S and molecular weight 248.00 g/mol. IUPAC: 3-methoxy-4-sulfooxybenzoic acid.
Chemical Property Profile of Vanillic acid 4-sulfate
Property Insights of Vanillic acid 4-sulfate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillic acid 4-sulfate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanillic acid 4-sulfate. Following Lipinski's Rule of Five, Vanillic acid 4-sulfate has 2 hydrogen bond donor(s) and 7 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 4-sulfate?
The CAS number of Vanillic acid 4-sulfate is 71235-86-4.
What is the molecular formula of Vanillic acid 4-sulfate?
The molecular formula of Vanillic acid 4-sulfate is C8H8O7S.
What is the molecular weight of Vanillic acid 4-sulfate?
The molecular weight of Vanillic acid 4-sulfate is 248.00 g/mol.
Where can I buy Vanillic acid 4-sulfate?
You can request a quote for Vanillic acid 4-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillic acid 4-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Vanillic acid 4-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.