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RefChem:440063 structure
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RefChem:440063

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]

CAS Number
15110-84-6
Molecular Formula
C36H34Cl2N6O8
Molecular Weight
748.1815 g/mol
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Technical Specifications

Molecular FormulaC36H34Cl2N6O8
Molecular Weight748.1815 g/mol
XLogP7.9
Topological Polar Surface Area (TPSA)179.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors12
Rotatable Bonds15
Exact Mass748.1815 Da
Heavy Atoms52
Complexity1180.0
SMILESCC(=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
InChIKeyJCCCQHUBURSMDX-UHFFFAOYSA-N

Chemical Property Profile of RefChem:440063

XLogP
7.9
TPSA (Topological Polar Surface Area)
179.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
12
Rotatable Bonds
15
Heavy Atoms
52
Complexity
1180.0
Exact Mass
748.1815
Monoisotopic Mass
748.1815
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of RefChem:440063

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.

Frequently Asked Questions

What is the CAS number of RefChem:440063?

The CAS number of RefChem:440063 is 15110-84-6.

What is the molecular formula of RefChem:440063?

The molecular formula of RefChem:440063 is C36H34Cl2N6O8.

What is the molecular weight of RefChem:440063?

The molecular weight of RefChem:440063 is 748.1815 g/mol.

Where can I buy RefChem:440063?

You can request a quote for RefChem:440063 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:440063?

Yes, CoreyChem provides custom synthesis services for RefChem:440063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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