(E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione (CAS 1164557-74-7) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(3-methylbutyliminomethyl)-2-phenylisoquinolin-1-one
Also Known As: (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione, 4-[(3-methylbutylamino)methylidene]-2-phenylisoquinoline-1,3-dione, (4E)-4-{[(3-methylbutyl)amino]methylidene}-2-phenylisoquinoline-1,3(2H,4H)-dione, 4-[1-(3-Methyl-butylamino)-meth-(E)-ylidene]-2-phenyl-4H-isoquinoline-1,3-dione
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.1613 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 956.7872 |
Chemical Identifiers
| CAS Number | 1164557-74-7 |
|---|---|
| SMILES | CC(C)CCN=CC1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)O |
Product Overview
(E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione (CAS 1164557-74-7), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 3-hydroxy-4-(3-methylbutyliminomethyl)-2-phenylisoquinolin-1-one.
Chemical Property Profile of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione
The XLogP value of 4.1613 indicates that (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-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, (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-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 (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione is 1164557-74-7.
What is the molecular formula of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione is C21H22N2O2.
What is the molecular weight of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione is 334.17 g/mol.
Where can I buy (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-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 (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((isopentylamino)methylene)-2-phenylisoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.