(2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
TL;DR: (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate (CAS 308290-38-2) is a chemical compound with molecular formula C20H20BrNO3 and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] acetate
Also Known As: (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate, [(2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] acetate
| Molecular Formula | C20H20BrNO3 |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 4.80072 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.06265 |
| Heavy Atoms | 25 |
| Complexity | 816.19104 |
Chemical Identifiers
| CAS Number | 308290-38-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)C)OC(=O)C |
Product Overview
(2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate (CAS 308290-38-2), with molecular formula C20H20BrNO3 and molecular weight 401.06 g/mol. IUPAC: [(2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] acetate.
Chemical Property Profile of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
Property Insights of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate
The XLogP value of 4.80072 indicates that (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-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 46.61 Ų, (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate has 0 hydrogen bond donor(s) and 3 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 (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
The CAS number of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is 308290-38-2.
What is the molecular formula of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
The molecular formula of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is C20H20BrNO3.
What is the molecular weight of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
The molecular weight of (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate is 401.06 g/mol.
Where can I buy (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
You can request a quote for (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-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 (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (2R,4S)-1-(4-bromobenzoyl)-2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.