2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
TL;DR: 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate (CAS 439136-30-8) is a chemical compound with molecular formula C20H22BrNO2 and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate
Also Known As: 2-(4-bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate, [2-(4-bromophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate, 2-(4-BROMOPHENYL)-3,3,6-TRIMETHYL-2,4-DIHYDRO-1H-QUINOLIN-4-YL ACETATE, Acetic acid 2-(4-bromo-phenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
| Molecular Formula | C20H22BrNO2 |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 5.55472 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.0834 |
| Heavy Atoms | 24 |
| Complexity | 767.7084 |
Chemical Identifiers
| CAS Number | 439136-30-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C(C2OC(=O)C)(C)C)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate (CAS 439136-30-8), with molecular formula C20H22BrNO2 and molecular weight 387.08 g/mol. IUPAC: [2-(4-bromophenyl)-3,3,6-trimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate.
Chemical Property Profile of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
Property Insights of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
The XLogP value of 5.55472 indicates that 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate has 1 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 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
The CAS number of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is 439136-30-8.
What is the molecular formula of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
The molecular formula of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is C20H22BrNO2.
What is the molecular weight of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
The molecular weight of 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is 387.08 g/mol.
Where can I buy 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
You can request a quote for 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-3,3,6-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.