![4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione structure](/static/products/116/1164552-93-5.png)
4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione
TL;DR: 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione (CAS 1164552-93-5) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one
Also Known As: 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione, (4E)-4-[[(1,1-diketothiolan-3-yl)amino]methylene]-2-(p-tolyl)isoquinoline-1,3-quinone, 4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione, (4E)-4-[[(1,1-dioxo-3-thiolanyl)amino]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione, (4E)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 2.61072 |
| Topological Polar Surface Area | 88.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1241.876 |
Chemical Identifiers
| CAS Number | 1164552-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4CCS(=O)(=O)C4)O |
Product Overview
4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione (CAS 1164552-93-5), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: 4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one.
Chemical Property Profile of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione
Property Insights of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione
The XLogP value of 2.61072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione. The TPSA of 88.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione. Following Lipinski's Rule of Five, 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione has 1 hydrogen bond donor(s) and 5 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 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione?
The CAS number of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione is 1164552-93-5.
What is the molecular formula of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione?
The molecular formula of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione is C21H20N2O4S.
What is the molecular weight of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione?
The molecular weight of 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione is 396.11 g/mol.
Where can I buy 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione?
You can request a quote for 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-p-tolyl-4H-isoquinoline -1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.