(E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile
TL;DR: (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile (CAS 392238-54-9) is a chemical compound with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: F0317-0175, (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile, 2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 4.27198 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 975.4354 |
Chemical Identifiers
| CAS Number | 392238-54-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=C(C#N)C2=NC3=CC=CC=C3S2)O |
Product Overview
(E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile (CAS 392238-54-9), with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile
Property Insights of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile
The XLogP value of 4.27198 indicates that (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile. Following Lipinski's Rule of Five, (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile has 1 hydrogen bond donor(s) and 7 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 (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile?
The CAS number of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile is 392238-54-9.
What is the molecular formula of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile?
The molecular formula of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile is C19H16N2O4S.
What is the molecular weight of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile?
The molecular weight of (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile is 368.08 g/mol.
Where can I buy (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile?
You can request a quote for (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-(2,3-dihydro-1,3-benzothiazol-2-ylidene)(3,4,5-trianisoyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.