DISPERSE BLUE 94
TL;DR: DISPERSE BLUE 94 (CAS 26021-20-5) is a chemical compound with molecular formula C20H20BrN7O7 and molecular weight 549.0607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
Also Known As: DISPERSE BLUE 94, Navy Blue RE, C.I. Disperse Blue 94, N-[2-[(2-BROMO-4,6-DINITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]ACETAMIDE, Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)-
Technical Specifications
| Molecular Formula | C20H20BrN7O7 |
| Molecular Weight | 549.0607 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.0607 Da |
| Heavy Atoms | 35 |
| Complexity | 827.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCO |
| InChIKey | MJEWVKATPDZNHU-UHFFFAOYSA-N |
Chemical Property Profile of DISPERSE BLUE 94
Property Insights of DISPERSE BLUE 94
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DISPERSE BLUE 94. The TPSA of 202.0 Ų indicates high polarity, suggesting DISPERSE BLUE 94 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DISPERSE BLUE 94 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of DISPERSE BLUE 94?
The CAS number of DISPERSE BLUE 94 is 26021-20-5.
What is the molecular formula of DISPERSE BLUE 94?
The molecular formula of DISPERSE BLUE 94 is C20H20BrN7O7.
What is the molecular weight of DISPERSE BLUE 94?
The molecular weight of DISPERSE BLUE 94 is 549.0607 g/mol.
Where can I buy DISPERSE BLUE 94?
You can request a quote for DISPERSE BLUE 94 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DISPERSE BLUE 94?
Yes, CoreyChem provides custom synthesis services for DISPERSE BLUE 94 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.