TL;DR: 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)- (CAS 135922-32-6) is a chemical compound with molecular formula C14H11ClN2O2 and molecular weight 274.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid
Also Known As: 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)-, 4-Chloro-7-(1H-imidazol-1-yl)-5,6-dihydro-2-naphthalenecarboxylic acid, 4-chloro-7-(1H-imidazol-1-yl)-5,6-dihydronaphthalene-2-carboxylic acid, 4-chloro-7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid, 5,6-Dihydro-7-(1H-imidazol-1-yl)-4-chloronaphthalene-2-carboxylic acid
| Molecular Formula | C14H11ClN2O2 |
| Molecular Weight | 274.0509 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0509 Da |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
| SMILES | C1CC2=C(C=C1N3C=CN=C3)C=C(C=C2Cl)C(=O)O |
| InChIKey | LDSIOXLOEUNQLK-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)-. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)- has 1 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-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)- is 135922-32-6.
The molecular formula of 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)- is C14H11ClN2O2.
The molecular weight of 2-Naphthalenecarboxylic acid, 5,6-dihydro-4-chloro-7-(1H-imidazol-1-yl)- is 274.0509 g/mol.
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