![(4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione structure](/static/products/568/568552-37-4.png)
(4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
TL;DR: (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione (CAS 568552-37-4) is a chemical compound with molecular formula C25H20F2N2O2S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(difluoromethylsulfanyl)phenyl]iminomethyl]-2-(2,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one
Also Known As: (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione, (4Z)-4-[[4-(difluoromethylsulfanyl)anilino]methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione, (Z)-4-(((4-((difluoromethyl)thio)phenyl)amino)methylene)-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione, 4-[[4-(difluoromethylsulfanyl)anilino]methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione
| Molecular Formula | C25H20F2N2O2S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 6.37844 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.12137 |
| Heavy Atoms | 32 |
| Complexity | 1379.589 |
Chemical Identifiers
| CAS Number | 568552-37-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC=C(C=C4)SC(F)F)O)C |
Product Overview
(4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione (CAS 568552-37-4), with molecular formula C25H20F2N2O2S and molecular weight 450.12 g/mol. IUPAC: 4-[[4-(difluoromethylsulfanyl)phenyl]iminomethyl]-2-(2,4-dimethylphenyl)-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Property Insights of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 6.37844 indicates that (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.59 Ų, (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione is 568552-37-4.
What is the molecular formula of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione is C25H20F2N2O2S.
What is the molecular weight of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione is 450.12 g/mol.
Where can I buy (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.