![4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid structure](/static/products/3004/30047-37-1.webp)
4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
TL;DR: 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid (CAS 30047-37-1) is a chemical compound with molecular formula C16H16N4O7S and molecular weight 408.07397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
Also Known As: BAS 01174722, 4-((4-(N-(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoic acid, 3-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenylcarbamoyl]-acrylic acid, 4-((4-(((2,6-Dimethoxy-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-4-oxoisocrotonic acid, 4-[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonic acid
Technical Specifications
| Molecular Formula | C16H16N4O7S |
| Molecular Weight | 408.07397 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.07397 Da |
| Heavy Atoms | 28 |
| Complexity | 671.0 |
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O)OC |
| InChIKey | XSJBDLAZVFZVTD-UHFFFAOYSA-N |
Chemical Property Profile of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
Property Insights of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid. The TPSA of 165.0 Ų indicates high polarity, suggesting 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid?
The CAS number of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid is 30047-37-1.
What is the molecular formula of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid is C16H16N4O7S.
What is the molecular weight of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid is 408.07397 g/mol.
Where can I buy 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[4-[(2,6-Dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.