![(2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/401/401845-71-4.png)
(2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 401845-71-4) is a chemical compound with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((2-acetyl-4,5-dimethoxyphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(2-acetyl-4,5-dimethoxy-phenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 4.91468 |
| Topological Polar Surface Area | 127.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1242.1974 |
Chemical Identifiers
| CAS Number | 401845-71-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC |
Product Overview
(2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 401845-71-4), with molecular formula C22H18N4O5S and molecular weight 450.10 g/mol. IUPAC: (E)-3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 4.91468 indicates that (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 9 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 (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 401845-71-4.
What is the molecular formula of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is C22H18N4O5S.
What is the molecular weight of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 450.10 g/mol.
Where can I buy (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[(2-acetyl-4,5-dimethoxyphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.