TL;DR: C.I. Disperse Blue 301 (CAS 26377-33-3) is a chemical compound with molecular formula C21H25BrN6O8 and molecular weight 568.09174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Also Known As: Disperse Blue 301, C.I. Disperse Blue 301, 2,3,3,4,4-pentachlorobiphenyl, HF 22-2, T465
| Molecular Formula | C21H25BrN6O8 |
| Molecular Weight | 568.09174 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 568.09174 Da |
| Heavy Atoms | 36 |
| Complexity | 758.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC)CCOC |
| InChIKey | YTGJTRYIRSPFPM-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that C.I. Disperse Blue 301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting C.I. Disperse Blue 301 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Disperse Blue 301 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C.I. Disperse Blue 301 is 26377-33-3.
The molecular formula of C.I. Disperse Blue 301 is C21H25BrN6O8.
The molecular weight of C.I. Disperse Blue 301 is 568.09174 g/mol.
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