4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate
TL;DR: 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate (CAS 329267-36-9) is a chemical compound with molecular formula C17H18BrNO3S and molecular weight 395.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate
Also Known As: 4-bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate, (4-bromophenyl) 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate, 2-[2-(4-bromophenoxy)sulfonylethyl]-3,4-dihydro-1H-isoquinoline, 4-bromophenyl (2-(2-1,2,3,4-tetrahydroisoquinolyl)ethyl)sulfonate
| Molecular Formula | C17H18BrNO3S |
|---|---|
| Molecular Weight | 395.02 g/mol |
| LogP | 3.216 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.01907 |
| Heavy Atoms | 23 |
| Complexity | 774.6804 |
Chemical Identifiers
| CAS Number | 329267-36-9 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CCS(=O)(=O)OC3=CC=C(C=C3)Br |
Product Overview
4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate (CAS 329267-36-9), with molecular formula C17H18BrNO3S and molecular weight 395.02 g/mol. IUPAC: (4-bromophenyl) 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanesulfonate.
Chemical Property Profile of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate
Property Insights of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate
The XLogP value of 3.216 indicates that 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate has 0 hydrogen bond donor(s) and 4 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 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate?
The CAS number of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate is 329267-36-9.
What is the molecular formula of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate?
The molecular formula of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate is C17H18BrNO3S.
What is the molecular weight of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate?
The molecular weight of 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate is 395.02 g/mol.
Where can I buy 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate?
You can request a quote for 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.