![(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile structure](/static/products/376/376618-76-7.png)
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
TL;DR: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile (CAS 376618-76-7) is a chemical compound with molecular formula C21H16N4O5S and molecular weight 436.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-methoxy-2-methyl-4-nitroanilino)prop-2-enenitrile
Also Known As: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile, (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((5-methoxy-2-methyl-4-nitrophenyl)amino)acrylonitrile, (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-methoxy-2-methyl-4-nitroanilino)prop-2-enenitrile
| Molecular Formula | C21H16N4O5S |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 4.7406 |
| Topological Polar Surface Area | 119.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.08414 |
| Heavy Atoms | 31 |
| Complexity | 1245.0525 |
Chemical Identifiers
| CAS Number | 376618-76-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC)[N+](=O)[O-] |
Product Overview
(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile (CAS 376618-76-7), with molecular formula C21H16N4O5S and molecular weight 436.08 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-methoxy-2-methyl-4-nitroanilino)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Property Insights of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
The XLogP value of 4.7406 indicates that (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]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)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile?
The CAS number of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile is 376618-76-7.
What is the molecular formula of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile?
The molecular formula of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile is C21H16N4O5S.
What is the molecular weight of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile?
The molecular weight of (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile is 436.08 g/mol.
Where can I buy (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile?
You can request a quote for (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]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)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.