6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
TL;DR: 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid (CAS 105789-89-7) is a chemical compound with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
Also Known As: 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid, 6-Bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 6-bromo-1-ethyl-4-oxo-quinoline-3-carboxylic acid, 6-bromo-1-ethyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 6-Bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
| Molecular Formula | C12H10BrNO3 |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.9844 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 105789-89-7 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=C1C=CC(=C2)Br)C(=O)O |
| InChIKey | ZPGYVGPARXLFPG-UHFFFAOYSA-N |
Product Overview
6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid (CAS 105789-89-7), with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol. IUPAC: 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
Property Insights of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-ethyl-4-oxoquinoline-3-carboxylic acid?
The CAS number of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid is 105789-89-7.
What is the molecular formula of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The molecular formula of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid is C12H10BrNO3.
What is the molecular weight of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The molecular weight of 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid is 294.98 g/mol.
Where can I buy 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
You can request a quote for 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid 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-ethyl-4-oxoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.