TL;DR: 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate (CAS 121315-20-6) is a chemical compound with molecular formula C11H16N2O7S2 and molecular weight 352.0399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(3-aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate
Also Known As: 2-[2-[(3-aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate, Benzamide, 3-amino-N-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-, EC 601-770-6, (1R)-1-INDOLIN-7-YLPROPYLAMINE-2HCl, Benzamide,3-amino-N-[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]-
| Molecular Formula | C11H16N2O7S2 |
| Molecular Weight | 352.0399 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.0399 Da |
| Heavy Atoms | 22 |
| Complexity | 562.0 |
| SMILES | C1=CC(=CC(=C1)N)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | VDSCZRDDLKLPIT-UHFFFAOYSA-N |
The XLogP value of -1.2 indicates that 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate is 121315-20-6.
The molecular formula of 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate is C11H16N2O7S2.
The molecular weight of 2-((2-((3-Aminobenzoyl)amino)ethyl)sulfonyl)ethyl hydrogen sulfate is 352.0399 g/mol.
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