1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline
TL;DR: 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline (CAS 22190-40-5) is a chemical compound with molecular formula C11H12BrNO and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone
Also Known As: 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline, 1-(6-Bromo-3,4-dihydroquinolin-1(2H)-yl)ethanone, 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone, 1-acetyl-6-bromo-1,2,3,4-tetrahydro-quinoline, Quinoline, 1-acetyl-6-bromo-1,2,3,4-tetrahydro-
| Molecular Formula | C11H12BrNO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.01022 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 22190-40-5 |
|---|---|
| SMILES | CC(=O)N1CCCC2=C1C=CC(=C2)Br |
| InChIKey | BHQKJGRWIRTURN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline (CAS 22190-40-5), with molecular formula C11H12BrNO and molecular weight 253.01 g/mol. IUPAC: 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline
Property Insights of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline has 0 hydrogen bond donor(s) and 1 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 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline?
The CAS number of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline is 22190-40-5.
What is the molecular formula of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline?
The molecular formula of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline is C11H12BrNO.
What is the molecular weight of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline?
The molecular weight of 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline is 253.01 g/mol.
Where can I buy 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline?
You can request a quote for 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.