![(2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile structure](/static/products/6270/627042-11-9.webp)
(2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile
TL;DR: (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile (CAS 627042-11-9) is a chemical compound with molecular formula C22H12ClN3O4S and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-hydroxy-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Also Known As: (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile, (2Z)-2-[4-(4-chlorophenyl)(1,3-thiazol-2-yl)]-3-hydroxy-3-[5-(3-nitrophenyl)(2 -furyl)]prop-2-enenitrile, (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-hydroxy-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile, (Z)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-hydroxy-3-(5-(3-nitrophenyl)furan-2-yl)acrylonitrile, 2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)-2-furyl]-3-oxo-propanenitrile
| Molecular Formula | C22H12ClN3O4S |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 6.58158 |
| Topological Polar Surface Area | 113.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.0237 |
| Heavy Atoms | 31 |
| Complexity | 1349.5956 |
Chemical Identifiers
| CAS Number | 627042-11-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C(=C(\C#N)/C3=NC(=CS3)C4=CC=C(C=C4)Cl)/O |
Product Overview
(2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile (CAS 627042-11-9), with molecular formula C22H12ClN3O4S and molecular weight 449.02 g/mol. IUPAC: (Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-hydroxy-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile
Property Insights of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile
The XLogP value of 6.58158 indicates that (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile. Following Lipinski's Rule of Five, (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile?
The CAS number of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile is 627042-11-9.
What is the molecular formula of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile?
The molecular formula of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile is C22H12ClN3O4S.
What is the molecular weight of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile?
The molecular weight of (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile is 449.02 g/mol.
Where can I buy (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile?
You can request a quote for (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile 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-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-[5-(3-nitrophenyl)furan-2-yl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.