TL;DR: Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl- (CAS 22617-04-5) is a chemical compound with molecular formula C17H18ClN3O3 and molecular weight 347.10367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]-4-methylphenol
Also Known As: 6-tert-Butyl-4-methyl-2-[ azo]phenol, 2-tert-Butyl-6-((4-chloro-2-nitrophenyl)azo)-p-cresol, 6-tert-butyl-4-methyl-2-[(4-chloro-2-nitrophenyl)azo]phenol, 2-tert-Butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]-4-methylphenol, Phenol, 2-[(4-chloro-2-nitrophenyl)azo]-6-(1,1-dimethylethyl)-4-methyl-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H18ClN3O3 |
| Molecular Weight | 347.10367 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.10367 Da |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
| SMILES | CC1=CC(=C(C(=C1)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)C(C)(C)C |
| InChIKey | VCXHQNDCECCAOQ-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl- 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 Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl-. Following Lipinski's Rule of Five, Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl- is 22617-04-5.
The molecular formula of Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl- is C17H18ClN3O3.
The molecular weight of Phenol, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-6-(1,1-dimethylethyl)-4-methyl- is 347.10367 g/mol.
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