2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile
TL;DR: 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile (CAS 39952-00-6) is a chemical compound with molecular formula C16H11ClN6O2 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-4-(2-cyanoethylamino)phenyl]diazenyl]-5-nitrobenzonitrile
Also Known As: EINECS 254-718-6, 2-[[3-CHLORO-4-[(2-CYANOETHYL)AMINO]PHENYL]AZO]-5-NITROBENZONITRILE, 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile, 2-Cyano-4'-nitro-3-chloro-4-(b-cyanoethylamino)azobenzene, 2-[[3-chloro-4-(2-cyanoethylamino)phenyl]diazenyl]-5-nitrobenzonitrile
| Molecular Formula | C16H11ClN6O2 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.86086 |
| Topological Polar Surface Area | 127.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.0632 |
| Heavy Atoms | 25 |
| Complexity | 913.8166 |
Chemical Identifiers
| CAS Number | 39952-00-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)NCCC#N |
Product Overview
2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile (CAS 39952-00-6), with molecular formula C16H11ClN6O2 and molecular weight 354.06 g/mol. IUPAC: 2-[[3-chloro-4-(2-cyanoethylamino)phenyl]diazenyl]-5-nitrobenzonitrile.
Chemical Property Profile of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile
Property Insights of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile
The XLogP value of 4.86086 indicates that 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile has 1 hydrogen bond donor(s) and 7 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 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile?
The CAS number of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile is 39952-00-6.
What is the molecular formula of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile?
The molecular formula of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile is C16H11ClN6O2.
What is the molecular weight of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile?
The molecular weight of 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile is 354.06 g/mol.
Where can I buy 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile?
You can request a quote for 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Chloro-4-((2-cyanoethyl)amino)phenyl)azo)-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.