TL;DR: Pigment orange 17 (CAS 15782-04-4) is a chemical compound with molecular formula C32H22BaN4O8S2 and molecular weight 791.99316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate)
Also Known As: Pigment orange 17, C16H12N2O4S.1/2Ba, C16-H12-N2-O4-S.1/2Ba, Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, barium salt (2:1), C.I. Pigment Orange 17, barium salt (2:1)
| Molecular Formula | C32H22BaN4O8S2 |
| Molecular Weight | 791.99316 g/mol |
| XLogP | 7.35 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 791.99316 Da |
| Heavy Atoms | 47 |
| Complexity | 509.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)[O-])O.[Ba+2] |
| InChIKey | BEXFCYUYPJZRLU-UHFFFAOYSA-L |
The XLogP value of 7.35 indicates that Pigment orange 17 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting Pigment orange 17 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment orange 17 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pigment orange 17 is 15782-04-4.
The molecular formula of Pigment orange 17 is C32H22BaN4O8S2.
The molecular weight of Pigment orange 17 is 791.99316 g/mol.
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