3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile
TL;DR: 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile (CAS 63589-45-7) is a chemical compound with molecular formula C21H23N5OS and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-butyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: Propanenitrile, 3-(butyl(4-((6-methoxy-2-benzothiazolyl)azo)phenyl)amino)-, 3-[butyl[4-[azo]phenyl]amino]propanenitrile, 3-[Butyl[4-[ azo]phenyl]amino]propanenitrile, Propanenitrile, 3-[butyl[4-[(6-methoxy-2-benzothiazolyl)azo]phenyl]amino]-, 3-[Butyl[4-[(6-methoxybenzothiazol-2-yl)azo]phenyl]amino]propanenitrile
| Molecular Formula | C21H23N5OS |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.16232 |
| Heavy Atoms | 28 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 63589-45-7 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC |
| InChIKey | FUFUVKQBLHIVEP-UHFFFAOYSA-N |
Product Overview
3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile (CAS 63589-45-7), with molecular formula C21H23N5OS and molecular weight 393.16 g/mol. IUPAC: 3-[N-butyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile
Property Insights of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile
The XLogP value of 5.5 indicates that 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile. Following Lipinski's Rule of Five, 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile?
The CAS number of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile is 63589-45-7.
What is the molecular formula of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile?
The molecular formula of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile is C21H23N5OS.
What is the molecular weight of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile?
The molecular weight of 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile is 393.16 g/mol.
Where can I buy 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile?
You can request a quote for 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.