Pigment Yellow 94
TL;DR: Pigment Yellow 94 (CAS 5580-58-5) is a chemical compound with molecular formula C42H32Cl6N8O6 and molecular weight 954.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[[2-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide
Also Known As: Pigment Yellow 94, CROMOPHTAL YELLOW 6G, CROMOPHTAL YELLOW 66, CI PIGMENT YELLOW 94, C.I. PIGMENT YELLOW 94
| Molecular Formula | C42H32Cl6N8O6 |
|---|---|
| Molecular Weight | 954.06 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 956.0546 |
| Heavy Atoms | 62 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 5580-58-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)N=NC(C(=O)C)C(=O)NC3=CC(=C(C=C3Cl)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)Cl)C)Cl)Cl |
| InChIKey | ADHAFJLXGIAZAN-UHFFFAOYSA-N |
Product Overview
Pigment Yellow 94 (CAS 5580-58-5), with molecular formula C42H32Cl6N8O6 and molecular weight 954.06 g/mol. IUPAC: 4-chloro-N-(5-chloro-2-methylphenyl)-3-[[1-[2,5-dichloro-4-[[2-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide.
Chemical Property Profile of Pigment Yellow 94
Property Insights of Pigment Yellow 94
The XLogP value of 11.3 indicates that Pigment Yellow 94 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting Pigment Yellow 94 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Yellow 94 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pigment Yellow 94?
The CAS number of Pigment Yellow 94 is 5580-58-5.
What is the molecular formula of Pigment Yellow 94?
The molecular formula of Pigment Yellow 94 is C42H32Cl6N8O6.
What is the molecular weight of Pigment Yellow 94?
The molecular weight of Pigment Yellow 94 is 954.06 g/mol.
Where can I buy Pigment Yellow 94?
You can request a quote for Pigment Yellow 94 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Yellow 94?
Yes, KEHONG BIO provides custom synthesis services for Pigment Yellow 94 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.