![(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile structure](/static/products/6270/627043-63-4.webp)
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile
TL;DR: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile (CAS 627043-63-4) is a chemical compound with molecular formula C21H11F3N2O2S and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
Also Known As: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile, (2Z)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enenitrile, (2Z)-2-benzothiazol-2-yl-3-hydroxy-3-{5-[3-(trifluoromethyl)phenyl](2-furyl)}p rop-2-enenitrile, (Z)-2-(benzo[d]thiazol-2-yl)-3-hydroxy-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylonitrile, 2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile
| Molecular Formula | C21H11F3N2O2S |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 6.52498 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.04935 |
| Heavy Atoms | 29 |
| Complexity | 1245.8112 |
Chemical Identifiers
| CAS Number | 627043-63-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C(/C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)\O)/C#N |
Product Overview
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile (CAS 627043-63-4), with molecular formula C21H11F3N2O2S and molecular weight 412.05 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile
Property Insights of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile
The XLogP value of 6.52498 indicates that (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile. Following Lipinski's Rule of Five, (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile?
The CAS number of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile is 627043-63-4.
What is the molecular formula of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile?
The molecular formula of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile is C21H11F3N2O2S.
What is the molecular weight of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile?
The molecular weight of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile is 412.05 g/mol.
Where can I buy (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile?
You can request a quote for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.