2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile (CAS 1025224-09-2) is a chemical compound with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((6-ETHOXYBENZOTHIAZOL-2-YL)AMINO)PROP-2-ENENITRILE, (E)-2-(2,2-dimethylpropanoyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-propenenitrile, 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-[[(6-ethoxybenzothiazol-2-yl)amino]methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
| Molecular Formula | C17H19N3O2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 4.12958 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1198 |
| Heavy Atoms | 23 |
| Complexity | 794.2519 |
Chemical Identifiers
| CAS Number | 1025224-09-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC=C(C#N)C(=O)C(C)(C)C |
Product Overview
2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile (CAS 1025224-09-2), with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol. IUPAC: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile
The XLogP value of 4.12958 indicates that 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile has 1 hydrogen bond donor(s) and 6 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-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile is 1025224-09-2.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile is C17H19N3O2S.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile is 329.12 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3-((6-ethoxybenzothiazol-2-YL)amino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.