TL;DR: 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005153-95-6) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,3-dihydro-1H-inden-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((2,3-dihydro-1H-inden-5-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(2,3-dihydro-1H-inden-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic Acid
| Molecular Formula | C18H19NO3 |
| Molecular Weight | 297.1365 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1365 Da |
| Heavy Atoms | 22 |
| Complexity | 514.0 |
| SMILES | C1CC2=C(C1)C=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4 |
| InChIKey | IEXCBTAXSOJEJO-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005153-95-6.
The molecular formula of 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C18H19NO3.
The molecular weight of 3-(N-indan-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 297.1365 g/mol.
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