顏料黃81
TL;DR: 顏料黃81 (CAS 22094-93-5) is a chemical compound with molecular formula C36H32Cl4N6O4 and molecular weight 752.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
顏料黃81
2-[[2,5-dichloro-4-[2,5-dichloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Also Known As: Pigment Yellow 81, Lemon, Bianthrone, Lemon Yellow, C.I. Pigment Yellow 81
| Molecular Formula | C36H32Cl4N6O4 |
|---|---|
| Molecular Weight | 752.12 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 754.121 |
| Heavy Atoms | 50 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 22094-93-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)Cl)C3=CC(=C(C=C3Cl)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C |
| InChIKey | GPWXTTPSHZOIKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
顏料黃81 (CAS 22094-93-5), with molecular formula C36H32Cl4N6O4 and molecular weight 752.12 g/mol. IUPAC: 2-[[2,5-dichloro-4-[2,5-dichloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide.
Chemical Property Profile of 顏料黃81
Property Insights of 顏料黃81
The XLogP value of 10.8 indicates that 顏料黃81 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 顏料黃81 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 顏料黃81 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 顏料黃81?
The CAS number of 顏料黃81 is 22094-93-5.
What is the molecular formula of 顏料黃81?
The molecular formula of 顏料黃81 is C36H32Cl4N6O4.
What is the molecular weight of 顏料黃81?
The molecular weight of 顏料黃81 is 752.12 g/mol.
Where can I buy 顏料黃81?
You can request a quote for 顏料黃81 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 顏料黃81?
Yes, KEHONG BIO provides custom synthesis services for 顏料黃81 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.