TL;DR: 2-Hydroxy-5-methyl-4'-nitroazobenzene (CAS 1082728-20-8) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-[(4-nitrophenyl)diazenyl]phenol
Also Known As: 2-Hydroxy-5-methyl-4'-nitroazobenzene, 2-(4-Nitrophenylazo)-4-methylphenol, 4-Methyl-2-(4-nitrophenylazo)phenol, 4 -Nitro-5-methylazobenzene-2-ol, 5-Methyl-4 -nitroazobenzene-2-ol
| Molecular Formula | C13H11N3O3 |
| Molecular Weight | 257.08005 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08005 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MRVCDXLZJHUNGI-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-Hydroxy-5-methyl-4'-nitroazobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-methyl-4'-nitroazobenzene. Following Lipinski's Rule of Five, 2-Hydroxy-5-methyl-4'-nitroazobenzene 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 2-Hydroxy-5-methyl-4'-nitroazobenzene is 1082728-20-8.
The molecular formula of 2-Hydroxy-5-methyl-4'-nitroazobenzene is C13H11N3O3.
The molecular weight of 2-Hydroxy-5-methyl-4'-nitroazobenzene is 257.08005 g/mol.
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