(E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile
TL;DR: (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile (CAS 374095-54-2) is a chemical compound with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methyl-4-nitroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile, (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile, (E)-3-(2-methyl-4-nitroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C23H22N4O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 6.2018 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.14636 |
| Heavy Atoms | 30 |
| Complexity | 1124.85 |
Chemical Identifiers
| CAS Number | 374095-54-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C |
Product Overview
(E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile (CAS 374095-54-2), with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol. IUPAC: (E)-3-(2-methyl-4-nitroanilino)-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile
Property Insights of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile
The XLogP value of 6.2018 indicates that (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)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)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)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 (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile?
The CAS number of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile is 374095-54-2.
What is the molecular formula of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile?
The molecular formula of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile is C23H22N4O2S.
What is the molecular weight of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile?
The molecular weight of (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile is 418.15 g/mol.
Where can I buy (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile?
You can request a quote for (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)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-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(4-isobutylphenyl)thiazol-2-yl)-3-((2-methyl-4-nitrophenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.