![ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate structure](/static/products/1214/1214214-83-1.webp)
ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate
TL;DR: ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate (CAS 1214214-83-1) is a chemical compound with molecular formula C27H30N6O9S and molecular weight 614.1795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate
Also Known As: ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate, ethyl 2-(4-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)amino)-4-oxobutanamido)-3-(4-hydroxy-3-nitrophenyl)propanoate
Technical Specifications
| Molecular Formula | C27H30N6O9S |
| Molecular Weight | 614.1795 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 614.1795 Da |
| Heavy Atoms | 43 |
| Complexity | 1060.0 |
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C |
| InChIKey | DVMZNCJRLVHREO-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate
Property Insights of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate. The TPSA of 231.0 Ų indicates high polarity, suggesting ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate?
The CAS number of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate is 1214214-83-1.
What is the molecular formula of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate?
The molecular formula of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate is C27H30N6O9S.
What is the molecular weight of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate?
The molecular weight of ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate is 614.1795 g/mol.
Where can I buy ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate?
You can request a quote for ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-[[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.