![(4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione structure](/static/products/554/554404-85-2.png)
(4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
TL;DR: (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione (CAS 554404-85-2) is a chemical compound with molecular formula C23H17F2N3O2S and molecular weight 437.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(difluoromethylsulfanyl)phenyl]iminomethyl]-3-hydroxy-2-(6-methyl-2-pyridinyl)isoquinolin-1-one
Also Known As: (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione, (4E)-4-[[4-(difluoromethylsulfanyl)anilino]methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione, (4Z)-4-[[4-(difluoromethylsulfanyl)anilino]methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione, (E)-4-(((4-((difluoromethyl)thio)phenyl)amino)methylene)-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione, 4-[[4-(difluoromethylsulfanyl)anilino]methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3-dione
| Molecular Formula | C23H17F2N3O2S |
|---|---|
| Molecular Weight | 437.10 g/mol |
| LogP | 5.46502 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.10095 |
| Heavy Atoms | 31 |
| Complexity | 1335.2308 |
Chemical Identifiers
| CAS Number | 554404-85-2 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC=C(C=C4)SC(F)F)O |
Product Overview
(4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione (CAS 554404-85-2), with molecular formula C23H17F2N3O2S and molecular weight 437.10 g/mol. IUPAC: 4-[[4-(difluoromethylsulfanyl)phenyl]iminomethyl]-3-hydroxy-2-(6-methyl-2-pyridinyl)isoquinolin-1-one.
Chemical Property Profile of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
Property Insights of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 5.46502 indicates that (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is 554404-85-2.
What is the molecular formula of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is C23H17F2N3O2S.
What is the molecular weight of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione is 437.10 g/mol.
Where can I buy (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)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 (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[({4-[(difluoromethyl)sulfanyl]phenyl}amino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.