C.I. Disperse Blue 79 (Cl/methoxy)
TL;DR: C.I. Disperse Blue 79 (Cl/methoxy) (CAS 3618-73-3) is a chemical compound with molecular formula C23H25ClN6O10 and molecular weight 580.13 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-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
Also Known As: C.I. Disperse Blue 79 (Cl/methoxy), Disperse Blue 79:2, DISPERSE BLUE 79:1, C.I. Disperse Blue 79:2, KST-1A4347
| Molecular Formula | C23H25ClN6O10 |
|---|---|
| Molecular Weight | 580.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 580.1321 |
| Heavy Atoms | 40 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 3618-73-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C |
| InChIKey | VRTQJBZLCYJJCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Disperse Blue 79 (Cl/methoxy) (CAS 3618-73-3), with molecular formula C23H25ClN6O10 and molecular weight 580.13 g/mol. IUPAC: 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate.
Chemical Property Profile of C.I. Disperse Blue 79 (Cl/methoxy)
Property Insights of C.I. Disperse Blue 79 (Cl/methoxy)
The XLogP value of 3.0 indicates that C.I. Disperse Blue 79 (Cl/methoxy) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting C.I. Disperse Blue 79 (Cl/methoxy) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Disperse Blue 79 (Cl/methoxy) 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 C.I. Disperse Blue 79 (Cl/methoxy)?
The CAS number of C.I. Disperse Blue 79 (Cl/methoxy) is 3618-73-3.
What is the molecular formula of C.I. Disperse Blue 79 (Cl/methoxy)?
The molecular formula of C.I. Disperse Blue 79 (Cl/methoxy) is C23H25ClN6O10.
What is the molecular weight of C.I. Disperse Blue 79 (Cl/methoxy)?
The molecular weight of C.I. Disperse Blue 79 (Cl/methoxy) is 580.13 g/mol.
Where can I buy C.I. Disperse Blue 79 (Cl/methoxy)?
You can request a quote for C.I. Disperse Blue 79 (Cl/methoxy) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Disperse Blue 79 (Cl/methoxy)?
Yes, KEHONG BIO provides custom synthesis services for C.I. Disperse Blue 79 (Cl/methoxy) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.