TL;DR: C.I. Acid Black 60 (CAS 12218-95-0) is a chemical compound with molecular formula C38H33CrN8O10S2 and molecular weight 877.11664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate);chromium(3+);hydron
Also Known As: Acid Black 60, C.I. Acid black 60, NEUTRAL GREY 2BL, Acid Black 60, Technical grade, Aluminum grey; (Chromium compound; Acid black 60)
| Molecular Formula | C38H33CrN8O10S2 |
| Molecular Weight | 877.11664 g/mol |
| XLogP | 4.65 |
| Topological Polar Surface Area (TPSA) | 309.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 877.11664 Da |
| Heavy Atoms | 59 |
| Complexity | 710.0 |
| SMILES | [H+].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].[Cr+3] |
| InChIKey | XPUNXSYBPVFQCG-UHFFFAOYSA-K |
The XLogP value of 4.65 indicates that C.I. Acid Black 60 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 309.0 Ų indicates high polarity, suggesting C.I. Acid Black 60 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Black 60 has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C.I. Acid Black 60 is 12218-95-0.
The molecular formula of C.I. Acid Black 60 is C38H33CrN8O10S2.
The molecular weight of C.I. Acid Black 60 is 877.11664 g/mol.
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