![2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione structure](/static/products/896/896839-89-7.png)
2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
TL;DR: 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione (CAS 896839-89-7) is a chemical compound with molecular formula C20H17BrN2O4S and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
Also Known As: 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione, (4E)-2-(4-bromophenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione, (E)-2-(4-bromophenyl)-4-(((1,1-dioxidotetrahydrothiophen-3-yl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C20H17BrN2O4S |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 3.0648 |
| Topological Polar Surface Area | 88.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.00925 |
| Heavy Atoms | 28 |
| Complexity | 1247.6761 |
Chemical Identifiers
| CAS Number | 896839-89-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Br)O |
Product Overview
2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione (CAS 896839-89-7), with molecular formula C20H17BrN2O4S and molecular weight 460.01 g/mol. IUPAC: 2-(4-bromophenyl)-4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
Property Insights of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione
The XLogP value of 3.0648 indicates that 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]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 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
The CAS number of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is 896839-89-7.
What is the molecular formula of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is C20H17BrN2O4S.
What is the molecular weight of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione is 460.01 g/mol.
Where can I buy 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-(4-bromophenyl)-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 2-(4-bromophenyl)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-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.