TL;DR: Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl- (CAS 63216-98-8) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-aminophenyl)diazenyl]-3-methylphenol
Also Known As: 4-[ azo]-m-cresol, 4-[(p-aminophenyl)azo]-m-cresol, 4-((p-Aminophenyl)azo)-m-cresol, Phenol, 4-((4-aminophenyl)azo)-3-methyl-, Phenol, 4-[(4-aminophenyl)azo]-3-methyl-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H13N3O |
| Molecular Weight | 227.10587 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.10587 Da |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
| SMILES | CC1=C(C=CC(=C1)O)N=NC2=CC=C(C=C2)N |
| InChIKey | DBCJYQPYIOLAEU-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl-. Following Lipinski's Rule of Five, Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl- has 2 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 Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl- is 63216-98-8.
The molecular formula of Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl- is C13H13N3O.
The molecular weight of Phenol, 4-(2-(4-aminophenyl)diazenyl)-3-methyl- is 227.10587 g/mol.
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