Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate
TL;DR: Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate (CAS 68797-52-4) is a chemical compound with molecular formula C9H15NO6S and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;(3,4-dimethoxyphenyl)-hydroxymethanesulfonic acid
Also Known As: alpha-Hydroxy-3,4-dimethoxybenzenemethanesulfonic acid, monoammonium salt, Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate, azane; (3,4-dimethoxyphenyl)-hydroxymethanesulfonic acid, benzenemethanesulfonic acid,, A-hydroxy-3,4-dimethoxy-, monoammonium salt
| Molecular Formula | C9H15NO6S |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 0.74 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.062 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 68797-52-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(O)S(=O)(=O)O)OC.N |
| InChIKey | PGNLMPVPHBUAGA-UHFFFAOYSA-N |
Product Overview
Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate (CAS 68797-52-4), with molecular formula C9H15NO6S and molecular weight 265.06 g/mol. IUPAC: azane;(3,4-dimethoxyphenyl)-hydroxymethanesulfonic acid.
Chemical Property Profile of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate
Property Insights of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate
The XLogP value of 0.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate. Following Lipinski's Rule of Five, Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate has 3 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 Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate?
The CAS number of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate is 68797-52-4.
What is the molecular formula of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate?
The molecular formula of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate is C9H15NO6S.
What is the molecular weight of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate?
The molecular weight of Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate is 265.06 g/mol.
Where can I buy Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate?
You can request a quote for Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium alpha-hydroxy-3,4-dimethoxytoluene-alpha-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.