4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one
TL;DR: 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one (CAS 867135-67-9) is a chemical compound with molecular formula C23H17BrN2O2 and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromobenzoyl)-3-(4-methylanilino)-2H-isoquinolin-1-one
Also Known As: 4-(4-bromobenzoyl)-3-(4-methylanilino)-2H-isoquinolin-1-one, 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one, F1650-0081, 4-(4-bromobenzoyl)-3-[(4-methylphenyl)amino]-1,2-dihydroisoquinolin-1-one, 4-(4-bromobenzoyl)-3-[(4-methylphenyl)amino]-2H-isoquinolin-1-one
| Molecular Formula | C23H17BrN2O2 |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 5.57362 |
| Topological Polar Surface Area | 61.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.04733 |
| Heavy Atoms | 28 |
| Complexity | 1226.4198 |
Chemical Identifiers
| CAS Number | 867135-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=C(C=C4)Br |
Product Overview
4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one (CAS 867135-67-9), with molecular formula C23H17BrN2O2 and molecular weight 432.05 g/mol. IUPAC: 4-(4-bromobenzoyl)-3-(4-methylanilino)-2H-isoquinolin-1-one.
Chemical Property Profile of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one
Property Insights of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one
The XLogP value of 5.57362 indicates that 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one?
The CAS number of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one is 867135-67-9.
What is the molecular formula of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one?
The molecular formula of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one is C23H17BrN2O2.
What is the molecular weight of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one?
The molecular weight of 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one is 432.05 g/mol.
Where can I buy 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one?
You can request a quote for 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromobenzoyl)-3-(p-tolylamino)isoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.