![4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione structure](/static/products/3260/326024-06-0.webp)
4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
TL;DR: 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione (CAS 326024-06-0) is a chemical compound with molecular formula C21H19F3N2O2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butan-2-yliminomethyl)-3-hydroxy-2-[2-(trifluoromethyl)phenyl]isoquinolin-1-one
Also Known As: 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, 4-[[(1-Methylpropyl)amino]methylene]-2-[2-(trifluoromethyl)phenyl]-1,3(2H,4H)-isoquinolinedione, 4-{[(Butan-2-yl)amino]methylidene}-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C21H19F3N2O2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 4.9325 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.13986 |
| Heavy Atoms | 28 |
| Complexity | 1100.9814 |
Chemical Identifiers
| CAS Number | 326024-06-0 |
|---|---|
| SMILES | CCC(C)N=CC1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C(F)(F)F)O |
Product Overview
4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione (CAS 326024-06-0), with molecular formula C21H19F3N2O2 and molecular weight 388.14 g/mol. IUPAC: 4-(butan-2-yliminomethyl)-3-hydroxy-2-[2-(trifluoromethyl)phenyl]isoquinolin-1-one.
Chemical Property Profile of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
Property Insights of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
The XLogP value of 4.9325 indicates that 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-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, 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 3 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-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
The CAS number of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is 326024-06-0.
What is the molecular formula of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
The molecular formula of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is C21H19F3N2O2.
What is the molecular weight of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
The molecular weight of 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is 388.14 g/mol.
Where can I buy 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
You can request a quote for 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]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-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(butan-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.