TL;DR: 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005268-02-9) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BIM-0048370.P001, 2-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[2-(1-cyclohexen-1-yl)ethyl]amino]carbonyl]-, 3-[N-(2-cyclohex-1-enylethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic a cid
| Molecular Formula | C17H23NO3 |
| Molecular Weight | 289.1678 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.1678 Da |
| Heavy Atoms | 21 |
| Complexity | 494.0 |
| SMILES | C1CCC(=CC1)CCNC(=O)C2C3CC(C2C(=O)O)C=C3 |
| InChIKey | MFNHOXMUXZEVAG-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-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 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1005268-02-9.
The molecular formula of 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C17H23NO3.
The molecular weight of 2-[2-(Cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 289.1678 g/mol.
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