![(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile structure](/static/products/850/850738-33-9.png)
(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
TL;DR: (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile (CAS 850738-33-9) is a chemical compound with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Also Known As: (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile, 5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C25H21ClN2O5S |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 3.69838 |
| Topological Polar Surface Area | 104.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.08597 |
| Heavy Atoms | 34 |
| Complexity | 1370.7612 |
Chemical Identifiers
| CAS Number | 850738-33-9 |
|---|---|
| SMILES | CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)C4CCS(=O)(=O)C4)C#N |
Product Overview
(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile (CAS 850738-33-9), with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol. IUPAC: (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile.
Chemical Property Profile of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Property Insights of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
The XLogP value of 3.69838 indicates that (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile. Following Lipinski's Rule of Five, (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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 (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The CAS number of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile is 850738-33-9.
What is the molecular formula of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The molecular formula of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile is C25H21ClN2O5S.
What is the molecular weight of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile?
The molecular weight of (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile is 496.09 g/mol.
Where can I buy (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile?
You can request a quote for (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.