6-Bromo-1,2,3,4-tetrahydroquinolin-4-one
TL;DR: 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one (CAS 935845-20-8) is a chemical compound with molecular formula C9H8BrNO and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2,3-dihydro-1H-quinolin-4-one
Also Known As: 6-BROMO-2,3-DIHYDROQUINOLIN-4(1H)-ONE, Bariumphytate, 6-Bromo-2,3-dihydro-1H-quinolin-4-one, 2-ethylsulfonylacetaldehyde, 6-bromo-1,2,3,4-tetrahydroquinolin-4-one
| Molecular Formula | C9H8BrNO |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.97893 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 935845-20-8 |
|---|---|
| SMILES | C1CNC2=C(C1=O)C=C(C=C2)Br |
| InChIKey | WAFBCQPOMZIGTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-1,2,3,4-tetrahydroquinolin-4-one (CAS 935845-20-8), with molecular formula C9H8BrNO and molecular weight 224.98 g/mol. IUPAC: 6-bromo-2,3-dihydro-1H-quinolin-4-one.
Chemical Property Profile of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one
Property Insights of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one has 1 hydrogen bond donor(s) and 2 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 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one?
The CAS number of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one is 935845-20-8.
What is the molecular formula of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one?
The molecular formula of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one is C9H8BrNO.
What is the molecular weight of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one?
The molecular weight of 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one is 224.98 g/mol.
Where can I buy 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one?
You can request a quote for 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.