TL;DR: Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) (CAS 10079-20-6) is a chemical compound with molecular formula C9H13NO7S2 and molecular weight 311.01334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-amino-4-methoxyphenyl)sulfonylethyl hydrogen sulfate
Also Known As: 2-((3-Amino-4-methoxyphenyl)sulphonyl)ethyl hydrogen sulphate, 2-(3-amino-4-methoxyphenyl)sulfonylethyl hydrogen sulfate, 2-[(3-amino-4-methoxyphenyl)sulfonyl]ethyl hydrogen sulfate, 2-Anisidine-4-hydroxyethyl sulfone sulfate ester, 2-(3-amino-4-methoxyphenylsulfonyl) ethyl sulfate
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H13NO7S2 |
| Molecular Weight | 311.01334 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.01334 Da |
| Heavy Atoms | 19 |
| Complexity | 476.0 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N |
| InChIKey | WODJSCQBFSWEPY-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate). The TPSA of 150.0 Ų indicates high polarity, suggesting Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) has 2 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 Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) is 10079-20-6.
The molecular formula of Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) is C9H13NO7S2.
The molecular weight of Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate) is 311.01334 g/mol.
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