![8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid structure](/static/products/3912/39129-16-3.webp)
8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 39129-16-3) is a chemical compound with molecular formula C18H12Cl3NO3 and molecular weight 394.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxylic acid, 1,2,3-Propanetricarboxylic acid,2-(1-butylpentyl) ester, 8-Chloro-5-(3,4-dichlorophenethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1H-quinoline-
| Molecular Formula | C18H12Cl3NO3 |
|---|---|
| Molecular Weight | 394.99 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.98828 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 39129-16-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCC2=C3C(=C(C=C2)Cl)NC=C(C3=O)C(=O)O)Cl)Cl |
| InChIKey | MUUDHEQLGKTRQQ-UHFFFAOYSA-N |
Product Overview
8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 39129-16-3), with molecular formula C18H12Cl3NO3 and molecular weight 394.99 g/mol. IUPAC: 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 5.9 indicates that 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic 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 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 39129-16-3.
What is the molecular formula of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C18H12Cl3NO3.
What is the molecular weight of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 394.99 g/mol.
Where can I buy 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-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 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-5-[2-(3,4-dichlorophenyl)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.