(E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
TL;DR: (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile (CAS 313687-13-7) is a chemical compound with molecular formula C18H11N3O2S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile, (2E)-3-(3-NITROPHENYL)-2-(4-PHENYL-1,3-THIAZOL-2-YL)PROP-2-ENENITRILE, F0291-0170, A1849/0077820, (E)-3-(3-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
| Molecular Formula | C18H11N3O2S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 4.78248 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0572 |
| Heavy Atoms | 24 |
| Complexity | 955.65015 |
Chemical Identifiers
| CAS Number | 313687-13-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
(E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile (CAS 313687-13-7), with molecular formula C18H11N3O2S and molecular weight 333.06 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
Property Insights of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
The XLogP value of 4.78248 indicates that (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile has 0 hydrogen bond donor(s) and 5 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)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile is 313687-13-7.
What is the molecular formula of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile is C18H11N3O2S.
What is the molecular weight of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile is 333.06 g/mol.
Where can I buy (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-nitrophenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.