TL;DR: 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid (CAS 1164492-22-1) is a chemical compound with molecular formula C14H19NO7S and molecular weight 345.08823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[3-[2-hydroxyethyl(methyl)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid
Also Known As: (E)-3-(3-(N-(2-hydroxyethyl)-N-methylsulfamoyl)-4,5-dimethoxyphenyl)acrylic acid, (2E)-3-(3-{[(2-hydroxyethyl)methylamino]sulfonyl}-4,5-dimethoxyphenyl)prop-2-e noic acid, (2E)-3-{3-[(2-hydroxyethyl)(methyl)sulfamoyl]-4,5-dimethoxyphenyl}prop-2-enoic acid, (E)-3-[3-[2-hydroxyethyl(methyl)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid, 3-(3-{[(2-hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid
| Molecular Formula | C14H19NO7S |
| Molecular Weight | 345.08823 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.08823 Da |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
| SMILES | CN(CCO)S(=O)(=O)C1=CC(=CC(=C1OC)OC)/C=C/C(=O)O |
| InChIKey | ONHCUTMIBCPUDR-SNAWJCMRSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid. Following Lipinski's Rule of Five, 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid 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 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid is 1164492-22-1.
The molecular formula of 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid is C14H19NO7S.
The molecular weight of 3-(3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}-4,5-dimethoxyphenyl)acrylic acid is 345.08823 g/mol.
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