2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile
TL;DR: 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile (CAS 70873-13-1) is a chemical compound with molecular formula C18H18N6O4 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-3,5-dinitrobenzonitrile
Also Known As: EINECS 274-969-5, 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile, 2-[[4-(diethylamino)-o-tolyl]azo]-3,5-dinitrobenzonitrile, 2-[[4-(Diethylamino)-2-methylphenyl]azo]-3,5-dinitrobenzonitrile, 2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-3,5-dinitrobenzonitrile
| Molecular Formula | C18H18N6O4 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 4.9447 |
| Topological Polar Surface Area | 138.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.13895 |
| Heavy Atoms | 28 |
| Complexity | 992.30084 |
Chemical Identifiers
| CAS Number | 70873-13-1 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)C |
Product Overview
2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile (CAS 70873-13-1), with molecular formula C18H18N6O4 and molecular weight 382.14 g/mol. IUPAC: 2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-3,5-dinitrobenzonitrile.
Chemical Property Profile of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile
Property Insights of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile
The XLogP value of 4.9447 indicates that 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile. Following Lipinski's Rule of Five, 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile 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 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile?
The CAS number of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile is 70873-13-1.
What is the molecular formula of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile?
The molecular formula of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile is C18H18N6O4.
What is the molecular weight of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile?
The molecular weight of 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile is 382.14 g/mol.
Where can I buy 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile?
You can request a quote for 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Diethylamino)-o-tolyl)azo)-3,5-dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.