Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-
TL;DR: Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- (CAS 67905-67-3) is a chemical compound with molecular formula C20H20N6O2S and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: 3-[butyl[4-[azo]phenyl]amino]propiononitrile, 3-[butyl[4-[ azo]phenyl]amino]propiononitrile, 6-Nitro-2-(4-((2-cyanoethyl)butylamino)phenylazo)benzothiazole, 2-(4-(N-Butyl-N-cyanoethylamino)phenylazo)-6-nitrobenzothiazole, 3-[Butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile
| Molecular Formula | C20H20N6O2S |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.13684 |
| Heavy Atoms | 29 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 67905-67-3 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | BDHHMEVHKNSMLP-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- (CAS 67905-67-3), with molecular formula C20H20N6O2S and molecular weight 408.14 g/mol. IUPAC: 3-[N-butyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-
Property Insights of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-
The XLogP value of 5.4 indicates that Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-. Following Lipinski's Rule of Five, Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-?
The CAS number of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- is 67905-67-3.
What is the molecular formula of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-?
The molecular formula of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- is C20H20N6O2S.
What is the molecular weight of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-?
The molecular weight of Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- is 408.14 g/mol.
Where can I buy Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-?
You can request a quote for Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.