Vanillic acid, methanesulfonate
TL;DR: Vanillic acid, methanesulfonate (CAS 67258-10-0) is a chemical compound with molecular formula C9H10O6S and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-methylsulfonyloxybenzoic acid
Also Known As: Vanillic acid, methanesulfonate, 3-methoxy-4-[oxy]benzoicacid, 3-Methoxy-4-[ oxy]benzoicacid, 3-Methoxy-4-mesyloxybenzoic acid, 3-methoxy-4-methylsulfonyloxybenzoic acid
| Molecular Formula | C9H10O6S |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0198 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 67258-10-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)C |
| InChIKey | UIECTSNVAQLISS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillic acid, methanesulfonate (CAS 67258-10-0), with molecular formula C9H10O6S and molecular weight 246.02 g/mol. IUPAC: 3-methoxy-4-methylsulfonyloxybenzoic acid.
Chemical Property Profile of Vanillic acid, methanesulfonate
Property Insights of Vanillic acid, methanesulfonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillic acid, methanesulfonate. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanillic acid, methanesulfonate. Following Lipinski's Rule of Five, Vanillic acid, methanesulfonate has 1 hydrogen bond donor(s) and 6 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, methanesulfonate?
The CAS number of Vanillic acid, methanesulfonate is 67258-10-0.
What is the molecular formula of Vanillic acid, methanesulfonate?
The molecular formula of Vanillic acid, methanesulfonate is C9H10O6S.
What is the molecular weight of Vanillic acid, methanesulfonate?
The molecular weight of Vanillic acid, methanesulfonate is 246.02 g/mol.
Where can I buy Vanillic acid, methanesulfonate?
You can request a quote for Vanillic acid, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillic acid, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Vanillic acid, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.