TL;DR: Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1) (CAS 13510-60-6) 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-anilino-2-methoxybenzenediazonium chloride
Also Known As: 2-Methoxy-4-(phenylamino)benzenediazonium chloride, 4-anilino-2-methoxybenzenediazonium chloride, 4-anilino-2-methoxybenzenediazonium, 4-anilino-2-methoxybenzenediazonium;chloride, Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H12ClN3O |
| Molecular Weight | 261.0669 g/mol |
| XLogP | 0.93 |
| 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 | 280.0 |
| SMILES | COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N.[Cl-] |
| InChIKey | CYOTVRXTHZXYAN-UHFFFAOYSA-M |
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1). With a topological polar surface area (TPSA) of 49.4 Ų, Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenediazonium, 2-methoxy-4-(phenylamino)-, 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, 2-methoxy-4-(phenylamino)-, chloride (1:1) is 13510-60-6.
The molecular formula of Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1) is C13H12ClN3O.
The molecular weight of Benzenediazonium, 2-methoxy-4-(phenylamino)-, chloride (1:1) is 261.0669 g/mol.
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