TL;DR: 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol (CAS 15138-30-4) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butyl-4-(4-nitrophenyl)phenol
Also Known As: 2,6-ditert-butyl-4-(4-nitrophenyl)phenol, 3,5-ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol, 2,6-di-tert-butyl-4-(4-nitrophenyl)phenol, 2,6-di(t-butyl)-4-(4'-nitrophenyl)phenol, 4-(4'nitrophenyl)-2,6-di-tert-butylphenol
| Molecular Formula | C20H25NO3 |
| Molecular Weight | 327.18344 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.18344 Da |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NFAPOEUBQBHZKR-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol. Following Lipinski's Rule of Five, 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol is 15138-30-4.
The molecular formula of 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol is C20H25NO3.
The molecular weight of 3,5-Ditert-butyl-4'-nitro[1,1'-biphenyl]-4-ol is 327.18344 g/mol.
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