![(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione structure](/static/products/896/896851-60-8.png)
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
TL;DR: (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione (CAS 896851-60-8) is a chemical compound with molecular formula C21H19ClN2O5S and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-methoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
Also Known As: (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione, (4Z)-2-(5-chloro-2-methoxyphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione, (Z)-2-(5-chloro-2-methoxyphenyl)-4-(((1,1-dioxidotetrahydrothiophen-3-yl)amino)methylene)isoquinoline-1,3(2H,4H)-dione, 2-(5-chloro-2-methoxy-phenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione, 2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
| Molecular Formula | C21H19ClN2O5S |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 2.9643 |
| Topological Polar Surface Area | 97.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.0703 |
| Heavy Atoms | 30 |
| Complexity | 1331.2115 |
Chemical Identifiers
| CAS Number | 896851-60-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N2C(=C(C3=CC=CC=C3C2=O)C=NC4CCS(=O)(=O)C4)O |
Product Overview
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione (CAS 896851-60-8), with molecular formula C21H19ClN2O5S and molecular weight 446.07 g/mol. IUPAC: 2-(5-chloro-2-methoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
Property Insights of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
The XLogP value of 2.9643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione. The TPSA of 97.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione has 1 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 (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
The CAS number of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is 896851-60-8.
What is the molecular formula of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
The molecular formula of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is C21H19ClN2O5S.
What is the molecular weight of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
The molecular weight of (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is 446.07 g/mol.
Where can I buy (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
You can request a quote for (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]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 (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.