![(E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/5617/5617-87-8.webp)
(E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 5617-87-8) is a chemical compound with molecular formula C26H16N4O5S and molecular weight 496.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(2-Methoxy-4-nitroanilino)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(2-methoxy-4-nitrophenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]acrylonitrile
| Molecular Formula | C26H16N4O5S |
|---|---|
| Molecular Weight | 496.08 g/mol |
| LogP | 5.96308 |
| Topological Polar Surface Area | 131.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.08414 |
| Heavy Atoms | 36 |
| Complexity | 1781.3231 |
Chemical Identifiers
| CAS Number | 5617-87-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O |
Product Overview
(E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 5617-87-8), with molecular formula C26H16N4O5S and molecular weight 496.08 g/mol. IUPAC: (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 5.96308 indicates that (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 5617-87-8.
What is the molecular formula of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is C26H16N4O5S.
What is the molecular weight of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 496.08 g/mol.
Where can I buy (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-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 (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-methoxy-4-nitroanilino)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.