3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile
TL;DR: 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile (CAS 333414-71-4) is a chemical compound with molecular formula C19H13FN4O2S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-fluoro-4-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 02590434, (E)-3-(3-fluoro-4-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-(3-fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile, (E)-3-((3-fluoro-4-methylphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, (2E)-3-[(3-fluoro-4-methylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C19H13FN4O2S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 5.1424 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0743 |
| Heavy Atoms | 27 |
| Complexity | 1068.0588 |
Chemical Identifiers
| CAS Number | 333414-71-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])F |
Product Overview
3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile (CAS 333414-71-4), with molecular formula C19H13FN4O2S and molecular weight 380.07 g/mol. IUPAC: (E)-3-(3-fluoro-4-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile
Property Insights of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile
The XLogP value of 5.1424 indicates that 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-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 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile?
The CAS number of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile is 333414-71-4.
What is the molecular formula of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile?
The molecular formula of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile is C19H13FN4O2S.
What is the molecular weight of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile?
The molecular weight of 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile is 380.07 g/mol.
Where can I buy 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile?
You can request a quote for 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-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 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluoro-4-methylanilino)-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.