3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one
TL;DR: 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one (CAS 168214-57-1) is a chemical compound with molecular formula C14H16BrNO2 and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-3-pentyl-1H-quinoline-2,4-dione
Also Known As: 3-bromo-3-pentyl-1H-quinoline-2,4-dione, 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one, 3-bromo-3-pentylquinoline-2,4(1H,3H)-dione
| Molecular Formula | C14H16BrNO2 |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 3.5354 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.03644 |
| Heavy Atoms | 18 |
| Complexity | 486.43726 |
Chemical Identifiers
| CAS Number | 168214-57-1 |
|---|---|
| SMILES | CCCCCC1(C(=O)C2=CC=CC=C2NC1=O)Br |
Product Overview
3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one (CAS 168214-57-1), with molecular formula C14H16BrNO2 and molecular weight 309.04 g/mol. IUPAC: 3-bromo-3-pentyl-1H-quinoline-2,4-dione.
Chemical Property Profile of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one
Property Insights of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one
The XLogP value of 3.5354 indicates that 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-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 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one?
The CAS number of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one is 168214-57-1.
What is the molecular formula of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one?
The molecular formula of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one is C14H16BrNO2.
What is the molecular weight of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one?
The molecular weight of 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one is 309.04 g/mol.
Where can I buy 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one?
You can request a quote for 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-2-hydroxy-3-pentylquinolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.