TL;DR: Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1) (CAS 10225-74-8) is a chemical compound with molecular formula C13H12ClN3O and molecular weight 261.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methoxyanilino)benzenediazonium chloride
Also Known As: Variamine Blue B Diazonium Salt, fast blue salt vb, Variamine Blue B Salt, Fast Blue VB Salt, Compound [31]
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H12ClN3O |
| Molecular Weight | 261.0669 g/mol |
| XLogP | 0.92738 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0669 Da |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
| SMILES | COC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.[Cl-] |
| InChIKey | AAXAHUUIRLOQMB-UHFFFAOYSA-M |
The XLogP value of 0.92738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1). With a topological polar surface area (TPSA) of 49.4 Ų, Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1) has 1 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 Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1) is 10225-74-8.
The molecular formula of Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1) is C13H12ClN3O.
The molecular weight of Benzenediazonium, 4-((4-methoxyphenyl)amino)-, chloride (1:1) is 261.0669 g/mol.
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