7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide
TL;DR: 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide (CAS 159831-74-0) is a chemical compound with molecular formula C16H10ClFN4O and molecular weight 328.0527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxamide
Also Known As: 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide, 3-Cinnolinecarboxamide, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-, 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxamide
Technical Specifications
| Molecular Formula | C16H10ClFN4O |
| Molecular Weight | 328.0527 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0527 Da |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
| SMILES | C1=CC=C(C=C1)C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)N |
| InChIKey | OFYOLXRFHLEKKD-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide
Property Insights of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide. Following Lipinski's Rule of Five, 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide has 1 hydrogen bond donor(s) and 5 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-cinnolinecarboxamide?
The CAS number of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide is 159831-74-0.
What is the molecular formula of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide?
The molecular formula of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide is C16H10ClFN4O.
What is the molecular weight of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide?
The molecular weight of 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide is 328.0527 g/mol.
Where can I buy 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide?
You can request a quote for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide 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-cinnolinecarboxamide?
Yes, CoreyChem provides custom synthesis services for 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.