N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide
TL;DR: N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide (CAS 391876-52-1) is a chemical compound with molecular formula C29H22BrClN2O4S and molecular weight 608.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide, N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide, F0473-0270
| Molecular Formula | C29H22BrClN2O4S |
|---|---|
| Molecular Weight | 608.02 g/mol |
| LogP | 6.3328 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 608.0172 |
| Heavy Atoms | 38 |
| Complexity | 1655.6959 |
Chemical Identifiers
| CAS Number | 391876-52-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Br)C(=O)C5=CC=CC=C5Cl |
Product Overview
N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide (CAS 391876-52-1), with molecular formula C29H22BrClN2O4S and molecular weight 608.02 g/mol. IUPAC: N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
Chemical Property Profile of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide
Property Insights of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide
The XLogP value of 6.3328 indicates that N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide. Following Lipinski's Rule of Five, N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide 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 N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
The CAS number of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is 391876-52-1.
What is the molecular formula of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
The molecular formula of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is C29H22BrClN2O4S.
What is the molecular weight of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
The molecular weight of N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is 608.02 g/mol.
Where can I buy N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
You can request a quote for N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-3-(2-chlorobenzoyl)phenyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.