(2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate
TL;DR: (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate (CAS 68298-05-5) is a chemical compound with molecular formula C11H19NO4S and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-methylpropan-1-ol;4-methylbenzenesulfonic acid
Also Known As: (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate, 2-Amino-2-methylpropanol p-toluenesulfonate, 1-Propanol, 2-amino-2-methyl-, 4-methylbenzenesulfonate (salt), Toluenesulfonic acid, 2-amino-2-methylpropanol salt, 1-hydroxy-2-methylpropan-2-aminium 4-methylbenzenesulfonate
| Molecular Formula | C11H19NO4S |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 0.96 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1035 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 68298-05-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CO)N |
| InChIKey | WCZPIHSRNOTNQU-UHFFFAOYSA-N |
Product Overview
(2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate (CAS 68298-05-5), with molecular formula C11H19NO4S and molecular weight 261.10 g/mol. IUPAC: 2-amino-2-methylpropan-1-ol;4-methylbenzenesulfonic acid.
Chemical Property Profile of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate
Property Insights of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate
The XLogP value of 0.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate. Following Lipinski's Rule of Five, (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate has 3 hydrogen bond donor(s) and 5 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 (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate?
The CAS number of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate is 68298-05-5.
What is the molecular formula of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate?
The molecular formula of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate is C11H19NO4S.
What is the molecular weight of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate?
The molecular weight of (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate is 261.10 g/mol.
Where can I buy (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate?
You can request a quote for (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-1,1-dimethylethyl)ammonium toluene-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.