![(1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/1005/1005138-64-6.webp)
(1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005138-64-6) is a chemical compound with molecular formula C21H22N4O5S and molecular weight 442.1311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C21H22N4O5S |
| Molecular Weight | 442.1311 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.1311 Da |
| Heavy Atoms | 31 |
| Complexity | 823.0 |
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C |
| InChIKey | YRDYXRXWPWGRKW-UHFFFAOYSA-N |
Chemical Property Profile of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 147.0 Ų indicates high polarity, suggesting (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005138-64-6.
What is the molecular formula of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C21H22N4O5S.
What is the molecular weight of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 442.1311 g/mol.
Where can I buy (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (1S,3R)-3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.