TL;DR: p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid (CAS 65542-14-5) is a chemical compound with molecular formula C15H14ClN3O2 and molecular weight 303.07745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(4-chlorophenyl)methyl-methylamino]diazenyl]benzoic acid
Also Known As: p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid, 4-[[(4-chlorophenyl)methyl-methylamino]diazenyl]benzoic acid, BENZOIC ACID, p-(3-(p-CHLOROBENZYL)-3-METHYL-1-TRIAZENO)-, 1,2,3,4-tetrahydro-5,7-dimethyl-1,8-Naphthyridine, p-[3-(p-Chlorobenzyl)-3-methyl-1-triazeno]benzoic acid
| Molecular Formula | C15H14ClN3O2 |
| Molecular Weight | 303.07745 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.07745 Da |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
| SMILES | CN(CC1=CC=C(C=C1)Cl)N=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | XUNAJGRWRKIEPV-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid. Following Lipinski's Rule of Five, p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid has 1 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 p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid is 65542-14-5.
The molecular formula of p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid is C15H14ClN3O2.
The molecular weight of p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid is 303.07745 g/mol.
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