(3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid
TL;DR: (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid (CAS 64013-18-9) is a chemical compound with molecular formula C9H12O6S and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-hydroxymethanesulfonic acid
Also Known As: (3,4-dimethoxyphenyl)-hydroxymethanesulfonic acid, (3,4-Dimethoxyphenyl)(hydroxy)methanesulfonic acid, (3,4-dimethoxyphenyl)-hydroxy-methanesulfonic Acid, alpha-Hydroxy-3,4-dimethoxybenzenemethanesulfonic acid, alpha-Hydroxy-3,4-dimethoxytoluene-alpha-sulfonic acid
| Molecular Formula | C9H12O6S |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.03546 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 64013-18-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(O)S(=O)(=O)O)OC |
| InChIKey | TZBFUCUFIRPVOS-UHFFFAOYSA-N |
Product Overview
(3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid (CAS 64013-18-9), with molecular formula C9H12O6S and molecular weight 248.04 g/mol. IUPAC: (3,4-dimethoxyphenyl)-hydroxymethanesulfonic acid.
Chemical Property Profile of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid
Property Insights of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid. Following Lipinski's Rule of Five, (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid has 2 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 (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid?
The CAS number of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid is 64013-18-9.
What is the molecular formula of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid?
The molecular formula of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid is C9H12O6S.
What is the molecular weight of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid?
The molecular weight of (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid is 248.04 g/mol.
Where can I buy (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid?
You can request a quote for (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dimethoxyphenyl)-hydroxymethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.