TL;DR: RefChem:440063 (CAS 15110-84-6) is a chemical compound with molecular formula C36H34Cl2N6O8 and molecular weight 748.1815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
C.I. Pigment Yellow 87
2-[[2-chloro-4-[3-chloro-4-[[1-(2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
Also Known As: C.I. Pigment Yellow 87, Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(2,5-dimethoxyphenyl)-3-oxo-, Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,5-dimethoxyphenyl)-3-oxo-, 2,2'-((3,3'-Dichloro-4,4'-biphenylylene)bis(azo))bis(2',5'-dimethoxyacetoacetanilide), 2,2'-[(3,3'-dichloro-4,4'-biphenylylene)bis(azo)]bis[2',5'-dimethoxyacetoacetanilide]
| Molecular Formula | C36H34Cl2N6O8 |
| Molecular Weight | 748.1815 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 748.1815 Da |
| Heavy Atoms | 52 |
| Complexity | 1180.0 |
| SMILES | CC(=O)C(C(=O)NC1=C(C=CC(=C1)OC)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)OC)OC)Cl)Cl |
| InChIKey | JCCCQHUBURSMDX-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that RefChem:440063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:440063 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:440063 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:440063 is 15110-84-6.
The molecular formula of RefChem:440063 is C36H34Cl2N6O8.
The molecular weight of RefChem:440063 is 748.1815 g/mol.
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