![(E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile structure](/static/products/866/866050-90-0.png)
(E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile
TL;DR: (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile (CAS 866050-90-0) is a chemical compound with molecular formula C22H13ClN4O4S and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-5-nitrophenyl)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile, 3-(2-chloro-5-nitrophenyl)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H13ClN4O4S |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 4.60758 |
| Topological Polar Surface Area | 117.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.0346 |
| Heavy Atoms | 32 |
| Complexity | 1306.694 |
Chemical Identifiers
| CAS Number | 866050-90-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)C(=CC4=C(C=CC(=C4)[N+](=O)[O-])Cl)C#N |
Product Overview
(E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile (CAS 866050-90-0), with molecular formula C22H13ClN4O4S and molecular weight 464.03 g/mol. IUPAC: 3-(2-chloro-5-nitrophenyl)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile
Property Insights of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile
The XLogP value of 4.60758 indicates that (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile. Following Lipinski's Rule of Five, (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile has 0 hydrogen bond donor(s) and 7 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 (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile?
The CAS number of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile is 866050-90-0.
What is the molecular formula of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile?
The molecular formula of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile is C22H13ClN4O4S.
What is the molecular weight of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile?
The molecular weight of (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile is 464.03 g/mol.
Where can I buy (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile?
You can request a quote for (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile 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-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-chloro-5-nitrophenyl)-2-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.