3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile
TL;DR: 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile (CAS 61488-76-4) is a chemical compound with molecular formula C16H12N6O2S and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: EINECS 262-816-5, 3-[[4-[azo]phenyl]amino]propiononitrile, 3-[[4-[ azo]phenyl]amino]propiononitrile, 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile, 3-[[4-[(6-NITROBENZOTHIAZOL-2-YL)AZO]PHENYL]AMINO]PROPIONONITRILE
| Molecular Formula | C16H12N6O2S |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.94548 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.07425 |
| Heavy Atoms | 25 |
| Complexity | 974.4488 |
Chemical Identifiers
| CAS Number | 61488-76-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCC#N)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile (CAS 61488-76-4), with molecular formula C16H12N6O2S and molecular weight 352.07 g/mol. IUPAC: 3-[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile
Property Insights of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile
The XLogP value of 4.94548 indicates that 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile. Following Lipinski's Rule of Five, 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile has 1 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 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile?
The CAS number of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile is 61488-76-4.
What is the molecular formula of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile?
The molecular formula of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile is C16H12N6O2S.
What is the molecular weight of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile?
The molecular weight of 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile is 352.07 g/mol.
Where can I buy 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile?
You can request a quote for 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-((6-Nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.