TL;DR: 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005110-92-8) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 03435802, 2-[(2-ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-(2-Ethyl-phenylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(2-ETHYLANILINO)CARBONYL]-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 3-[(2-ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.11575 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.11575 Da |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
| SMILES | CCC1=CC=CC=C1NC(=O)C2C3C=CC(C2C(=O)O)O3 |
| InChIKey | CGXAEUHVOGPLNT-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1005110-92-8.
The molecular formula of 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C16H17NO4.
The molecular weight of 2-[(2-Ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 287.11575 g/mol.
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