2-((3-Aminophenyl)sulphonyl) hydrogensulphate
TL;DR: 2-((3-Aminophenyl)sulphonyl) hydrogensulphate (CAS 2494-88-4) is a chemical compound with molecular formula C8H11NO6S2 and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminophenyl)sulfonylethyl hydrogen sulfate
Also Known As: 2-((3-Aminophenyl)sulphonyl) hydrogensulphate, 2-(3-aminophenyl)sulfonylethyl hydrogen sulfate, 2-(3-Aminophenylsulfonyl)ethylsulfate, EC 219-668-1, 2-[(3-aminophenyl)sulphonyl] hydrogensulphate
| Molecular Formula | C8H11NO6S2 |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.00278 |
| Heavy Atoms | 17 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 2494-88-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)N |
| InChIKey | BCLOBWIFURSERL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((3-Aminophenyl)sulphonyl) hydrogensulphate (CAS 2494-88-4), with molecular formula C8H11NO6S2 and molecular weight 281.00 g/mol. IUPAC: 2-(3-aminophenyl)sulfonylethyl hydrogen sulfate.
Chemical Property Profile of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate
Property Insights of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate
The XLogP value of -0.6 indicates that 2-((3-Aminophenyl)sulphonyl) hydrogensulphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-((3-Aminophenyl)sulphonyl) hydrogensulphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-Aminophenyl)sulphonyl) hydrogensulphate 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 2-((3-Aminophenyl)sulphonyl) hydrogensulphate?
The CAS number of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate is 2494-88-4.
What is the molecular formula of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate?
The molecular formula of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate is C8H11NO6S2.
What is the molecular weight of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate?
The molecular weight of 2-((3-Aminophenyl)sulphonyl) hydrogensulphate is 281.00 g/mol.
Where can I buy 2-((3-Aminophenyl)sulphonyl) hydrogensulphate?
You can request a quote for 2-((3-Aminophenyl)sulphonyl) hydrogensulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Aminophenyl)sulphonyl) hydrogensulphate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Aminophenyl)sulphonyl) hydrogensulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.