(E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile
TL;DR: (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile (CAS 1322015-20-2) is a chemical compound with molecular formula C18H12N4O2S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-anilino-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile, (E)-3-anilino-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F0764-0013, (2E)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-(phenylamino)prop-2-enenitrile
| Molecular Formula | C18H12N4O2S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.06808 |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 1322015-20-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | QCSQVCZPDWRZJI-SDNWHVSQSA-N |
Product Overview
(E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile (CAS 1322015-20-2), with molecular formula C18H12N4O2S and molecular weight 348.07 g/mol. IUPAC: (E)-3-anilino-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile
Property Insights of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile
The XLogP value of 4.5 indicates that (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile 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 (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile?
The CAS number of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile is 1322015-20-2.
What is the molecular formula of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile?
The molecular formula of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile is C18H12N4O2S.
What is the molecular weight of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile?
The molecular weight of (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile is 348.07 g/mol.
Where can I buy (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile?
You can request a quote for (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(4-nitrophenyl)thiazol-2-yl)-3-(phenylamino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.