(E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile (CAS 477297-50-0) is a chemical compound with molecular formula C18H10F2N4O2S and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-difluoroanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(3,4-difluoroanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H10F2N4O2S |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 4.97308 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.04926 |
| Heavy Atoms | 27 |
| Complexity | 1071.7108 |
Chemical Identifiers
| CAS Number | 477297-50-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=CC(=C(C=C3)F)F)/C#N)[N+](=O)[O-] |
Product Overview
(E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile (CAS 477297-50-0), with molecular formula C18H10F2N4O2S and molecular weight 384.05 g/mol. IUPAC: (E)-3-(3,4-difluoroanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 4.97308 indicates that (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)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)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is 477297-50-0.
What is the molecular formula of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is C18H10F2N4O2S.
What is the molecular weight of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile is 384.05 g/mol.
Where can I buy (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-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-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3,4-difluorophenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.