CI Disperse Red 169
TL;DR: CI Disperse Red 169 (CAS 58104-49-7) is a chemical compound with molecular formula C20H19ClN6O3 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile
Also Known As: CI Disperse Red 169, Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl][2-(2-cyanoethoxy)ethyl]amino]-, 3-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)(2-(2-cyanoethoxy)ethyl)amino)propiononitrile, Propanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)phenyl)(2-(2-cyanoethoxy)ethyl)amino)-, Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)(2-(2-cyanoethoxy)ethyl)amino)-
| Molecular Formula | C20H19ClN6O3 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 426.12073 |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 58104-49-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCOCCC#N |
| InChIKey | FWUINTWYWXWQKA-UHFFFAOYSA-N |
Product Overview
CI Disperse Red 169 (CAS 58104-49-7), with molecular formula C20H19ClN6O3 and molecular weight 426.12 g/mol. IUPAC: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile.
Chemical Property Profile of CI Disperse Red 169
Property Insights of CI Disperse Red 169
The XLogP value of 3.5 indicates that CI Disperse Red 169 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CI Disperse Red 169. Following Lipinski's Rule of Five, CI Disperse Red 169 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CI Disperse Red 169?
The CAS number of CI Disperse Red 169 is 58104-49-7.
What is the molecular formula of CI Disperse Red 169?
The molecular formula of CI Disperse Red 169 is C20H19ClN6O3.
What is the molecular weight of CI Disperse Red 169?
The molecular weight of CI Disperse Red 169 is 426.12 g/mol.
Where can I buy CI Disperse Red 169?
You can request a quote for CI Disperse Red 169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI Disperse Red 169?
Yes, KEHONG BIO provides custom synthesis services for CI Disperse Red 169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.