TL;DR: 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid (CAS 1005127-22-9) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(3-acetylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
Also Known As: 7-[(3-acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 7-[(3-acetylphenyl)carbamoyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 7-[(3-acetylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid, 7-{[(3-acetylphenyl)amino]carbonyl}tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 9-((3-acetylphenyl)carbamoyl)tricyclo[3.2.2.0(2,4)]non-6-ene-8-carboxylic acid
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.1314 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.1314 Da |
| Heavy Atoms | 24 |
| Complexity | 612.0 |
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4 |
| InChIKey | BTEWSGMMIUOGIN-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid. Following Lipinski's Rule of Five, 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-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 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid is 1005127-22-9.
The molecular formula of 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid is C19H19NO4.
The molecular weight of 7-[(3-Acetylanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid is 325.1314 g/mol.
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