TL;DR: 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- (CAS 50264-68-1) is a chemical compound with molecular formula C15H10Cl2N2O2 and molecular weight 320.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
Also Known As: Spectrum3_001854, KBio3_002769, 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)-, 1-(3,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid, 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
| Molecular Formula | C15H10Cl2N2O2 |
| Molecular Weight | 320.01193 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.01193 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | C1=CC=C2C(=C1)C(=NN2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O |
| InChIKey | DGRMEXOCSJEPGJ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- 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 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- is 50264-68-1.
The molecular formula of 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- is C15H10Cl2N2O2.
The molecular weight of 1H-Indazole-3-carboxylic acid, 1-(3,4-dichlorobenzyl)- is 320.01193 g/mol.
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