2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
TL;DR: 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 902329-87-7) is a chemical compound with molecular formula C23H28BrN3O5S and molecular weight 537.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 2-{4-[(2-bromophenyl)sulfonyl]piperazin-1-yl}-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
| Molecular Formula | C23H28BrN3O5S |
|---|---|
| Molecular Weight | 537.09 g/mol |
| LogP | 2.3575 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.0933 |
| Heavy Atoms | 33 |
| Complexity | 1132.912 |
Chemical Identifiers
| CAS Number | 902329-87-7 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br)OC |
Product Overview
2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 902329-87-7), with molecular formula C23H28BrN3O5S and molecular weight 537.09 g/mol. IUPAC: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Property Insights of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
The XLogP value of 2.3575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone. Following Lipinski's Rule of Five, 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The CAS number of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 902329-87-7.
What is the molecular formula of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular formula of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is C23H28BrN3O5S.
What is the molecular weight of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular weight of 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 537.09 g/mol.
Where can I buy 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
You can request a quote for 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-((2-bromophenyl)sulfonyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.