Pigment Yellow 95
TL;DR: Pigment Yellow 95 (CAS 5280-80-8) is a chemical compound with molecular formula C44H38Cl4N8O6 and molecular weight 914.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[1-[4-[[2-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide
Also Known As: Pigment Yellow 95, C.I. Pigment Yellow 95, CROMOPHTAL YELLOW GR, MICROLEN YELLOW GR-MC, CROMOPHTAL YELLOW GR-P
| Molecular Formula | C44H38Cl4N8O6 |
|---|---|
| Molecular Weight | 914.17 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 916.1639 |
| Heavy Atoms | 62 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 5280-80-8 |
|---|---|
| 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=C3C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)Cl)C)Cl)C |
| InChIKey | MLIPLRICHBJSFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pigment Yellow 95 (CAS 5280-80-8), with molecular formula C44H38Cl4N8O6 and molecular weight 914.17 g/mol. IUPAC: 4-chloro-3-[[1-[4-[[2-[[2-chloro-5-[(5-chloro-2-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-(5-chloro-2-methylphenyl)benzamide.
Chemical Property Profile of Pigment Yellow 95
Property Insights of Pigment Yellow 95
The XLogP value of 10.8 indicates that Pigment Yellow 95 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 95 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Yellow 95 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 95?
The CAS number of Pigment Yellow 95 is 5280-80-8.
What is the molecular formula of Pigment Yellow 95?
The molecular formula of Pigment Yellow 95 is C44H38Cl4N8O6.
What is the molecular weight of Pigment Yellow 95?
The molecular weight of Pigment Yellow 95 is 914.17 g/mol.
Where can I buy Pigment Yellow 95?
You can request a quote for Pigment Yellow 95 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Yellow 95?
Yes, KEHONG BIO provides custom synthesis services for Pigment Yellow 95 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.