TL;DR: 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1023544-83-3) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid, 3-({2-[(3-methylthiophen-2-yl)carbonyl]hydrazinyl}carbonyl)-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-(2-(3-methylthiophene-2-carbonyl)hydrazinecarbonyl)-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[(3-methylthiophen-2-yl)formohydrazido]carbonyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{N-[(3-methyl(2-thienyl))carbonylamino]carbamoyl}-7-(methylethylidene)bicycl o[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C18H22N2O4S |
| Molecular Weight | 362.13004 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.13004 Da |
| Heavy Atoms | 25 |
| Complexity | 629.0 |
| SMILES | CC1=C(SC=C1)C(=O)NNC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C |
| InChIKey | FCUZTBBHXJMZQL-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid is 1023544-83-3.
The molecular formula of 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid is C18H22N2O4S.
The molecular weight of 2-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid is 362.13004 g/mol.
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