5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
TL;DR: 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (CAS 302553-01-1) is a chemical compound with molecular formula C10H4Cl3NO3 and molecular weight 290.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,8-trichloro-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 5,6,8-trichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 5,6,8-trichloro-4-oxo-1H-quinoline-3-carboxylic Acid, 5,6,8-trichloroquinoline-4-one-3-carboxylic acid, AE-641/12845342
| Molecular Formula | C10H4Cl3NO3 |
|---|---|
| Molecular Weight | 290.93 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.9257 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 302553-01-1 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1Cl)Cl)C(=O)C(=CN2)C(=O)O)Cl |
| InChIKey | DIMMLVONVUPWHB-UHFFFAOYSA-N |
Product Overview
5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (CAS 302553-01-1), with molecular formula C10H4Cl3NO3 and molecular weight 290.93 g/mol. IUPAC: 5,6,8-trichloro-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Property Insights of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
The XLogP value of 3.7 indicates that 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid. Following Lipinski's Rule of Five, 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid has 2 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 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid?
The CAS number of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid is 302553-01-1.
What is the molecular formula of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid?
The molecular formula of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid is C10H4Cl3NO3.
What is the molecular weight of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid?
The molecular weight of 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid is 290.93 g/mol.
Where can I buy 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid?
You can request a quote for 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,6,8-Trichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.