3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate
TL;DR: 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate (CAS 159831-73-9) is a chemical compound with molecular formula C9H5ClFN3O2 and molecular weight 241.00543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid
Also Known As: 4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid, 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate, 4-Amino-7-chloro-6-fluoro-3-cinnolinecarboxylic acid hydrate, 6-Fluoro-7-chloro-4-aminocinnoline-3-carboxylic acid, 3-Cinnolinecarboxylicacid, 4-amino-7-chloro-6-fluoro-
Technical Specifications
| Molecular Formula | C9H5ClFN3O2 |
| Molecular Weight | 241.00543 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.00543 Da |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
| SMILES | C1=C2C(=CC(=C1F)Cl)N=NC(=C2N)C(=O)O |
| InChIKey | JCWIOQDKLWKZGX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate
Property Insights of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate. Following Lipinski's Rule of Five, 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate has 2 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 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate?
The CAS number of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate is 159831-73-9.
What is the molecular formula of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate?
The molecular formula of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate is C9H5ClFN3O2.
What is the molecular weight of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate?
The molecular weight of 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate is 241.00543 g/mol.
Where can I buy 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate?
You can request a quote for 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate?
Yes, CoreyChem provides custom synthesis services for 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-6-fluoro-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.