TL;DR: 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid (CAS 1005090-32-3) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2,4-dimethoxyphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
Also Known As: 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 7-[(2,4-dimethoxyphenyl)carbamoyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid, 7-[(2,4-dimethoxyphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid, 7-[N-(2,4-dimethoxyphenyl)carbamoyl]tricyclo[3.2.2.0<2,4>]non-8-ene-6-carboxyl ic acid, 9-((2,4-dimethoxyphenyl)carbamoyl)tricyclo[3.2.2.0(2,4)]non-6-ene-8-carboxylic acid
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.14197 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.14197 Da |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
| SMILES | COC1=CC(=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)C4C3C4)OC |
| InChIKey | HEKUWRKKNSYRRZ-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid. Following Lipinski's Rule of Five, 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid has 2 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 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid is 1005090-32-3.
The molecular formula of 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid is C19H21NO5.
The molecular weight of 7-[(2,4-dimethoxyanilino)carbonyl]tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid is 343.14197 g/mol.
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