Disperse Blue 79:1
TL;DR: Disperse Blue 79:1 (CAS 3618-72-2) is a chemical compound with molecular formula C23H25BrN6O10 and molecular weight 624.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
Also Known As: C.I. Disperse Blue 79:1, DISPERSE BLUE 79:1, Disperse Blue Black 79, DisperseBlue79:1, NAVY BLUE 3G
| Molecular Formula | C23H25BrN6O10 |
|---|---|
| Molecular Weight | 624.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.08154 |
| Heavy Atoms | 40 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 3618-72-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C |
| InChIKey | JSRUDOBCTLPTFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disperse Blue 79:1 (CAS 3618-72-2), with molecular formula C23H25BrN6O10 and molecular weight 624.08 g/mol. IUPAC: 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate.
Chemical Property Profile of Disperse Blue 79:1
Property Insights of Disperse Blue 79:1
The XLogP value of 3.1 indicates that Disperse Blue 79:1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Disperse Blue 79:1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disperse Blue 79:1 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Disperse Blue 79:1?
The CAS number of Disperse Blue 79:1 is 3618-72-2.
What is the molecular formula of Disperse Blue 79:1?
The molecular formula of Disperse Blue 79:1 is C23H25BrN6O10.
What is the molecular weight of Disperse Blue 79:1?
The molecular weight of Disperse Blue 79:1 is 624.08 g/mol.
Where can I buy Disperse Blue 79:1?
You can request a quote for Disperse Blue 79:1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disperse Blue 79:1?
Yes, KEHONG BIO provides custom synthesis services for Disperse Blue 79:1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.