7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid
TL;DR: 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid (CAS 159831-77-3) is a chemical compound with molecular formula C16H9ClFN3O2 and molecular weight 329.03674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic acid
Also Known As: 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid, 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic acid, 3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-, 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic, 3-Cinnolinecarboxylicacid, 7-chloro-6-fluoro-4-[(phenylmethylene)amino]-
Technical Specifications
| Molecular Formula | C16H9ClFN3O2 |
| Molecular Weight | 329.03674 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.03674 Da |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
| SMILES | C1=CC=C(C=C1)C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)O |
| InChIKey | TVXJHWQSLDWOGS-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid
Property Insights of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid
The XLogP value of 3.1 indicates that 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid. Following Lipinski's Rule of Five, 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid?
The CAS number of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid is 159831-77-3.
What is the molecular formula of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid?
The molecular formula of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid is C16H9ClFN3O2.
What is the molecular weight of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid?
The molecular weight of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid is 329.03674 g/mol.
Where can I buy 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid?
You can request a quote for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.