(E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione (CAS 723331-84-8) is a chemical compound with molecular formula C25H22BrN3O2 and molecular weight 475.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-pyridinyl)-4-[(4-butylphenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
Also Known As: (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(5-bromopyridin-2-yl)-4-[(4-butylanilino)methylidene]isoquinoline-1,3-dione, 2-(5-bromopyridin-2-yl)-4-[(4-butylanilino)methylidene]isoquinoline-1,3-dione, 2-(5-bromopyridin-2-yl)-4-[[(4-butylphenyl)amino]methylidene]isoquinoline-1,3-dione, (4E)-2-(5-bromopyridin-2-yl)-4-{[(4-butylphenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C25H22BrN3O2 |
|---|---|
| Molecular Weight | 475.09 g/mol |
| LogP | 5.947 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.08954 |
| Heavy Atoms | 31 |
| Complexity | 1293.6505 |
Chemical Identifiers
| CAS Number | 723331-84-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=NC=C(C=C4)Br)O |
Product Overview
(E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione (CAS 723331-84-8), with molecular formula C25H22BrN3O2 and molecular weight 475.09 g/mol. IUPAC: 2-(5-bromo-2-pyridinyl)-4-[(4-butylphenyl)iminomethyl]-3-hydroxyisoquinolin-1-one.
Chemical Property Profile of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 5.947 indicates that (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)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 (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione. Following Lipinski's Rule of Five, (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)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 (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione is 723331-84-8.
What is the molecular formula of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione is C25H22BrN3O2.
What is the molecular weight of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione is 475.09 g/mol.
Where can I buy (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)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 (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-bromopyridin-2-yl)-4-(((4-butylphenyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.