7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
TL;DR: 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (CAS 7507-44-0) is a chemical compound with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylic acid
Also Known As: 7-chloro-3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylic acid, 2-Quinolinecarboxylicacid,7-chloro-4-hydroxy-3,6-dimethyl, 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid, 2-Quinolinecarboxylicacid, 7-chloro-4-hydroxy-3,6-dimethyl-
| Molecular Formula | C12H10ClNO3 |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.03493 |
| Heavy Atoms | 17 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 7507-44-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)NC(=C(C2=O)C)C(=O)O |
| InChIKey | UABFVAWIWGYWJC-UHFFFAOYSA-N |
Product Overview
7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (CAS 7507-44-0), with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol. IUPAC: 7-chloro-3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylic acid.
Chemical Property Profile of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
Property Insights of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid. Following Lipinski's Rule of Five, 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic 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 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid?
The CAS number of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid is 7507-44-0.
What is the molecular formula of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid?
The molecular formula of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid is C12H10ClNO3.
What is the molecular weight of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid?
The molecular weight of 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid is 251.03 g/mol.
Where can I buy 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid?
You can request a quote for 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3,6-dimethyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.