cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt
TL;DR: cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt (CAS 158631-53-9) is a chemical compound with molecular formula C10H7ClN2O3 and molecular weight 238.01453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetate
Also Known As: 2-(Carboxymethyl)-6-chloro-4-hydroxycinnolinium inner salt, Cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt, 2-(6-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetate, (6-Chloro-4-oxo-1,4-dihydrocinnolin-2-ium-2-yl)acetate
Technical Specifications
| Molecular Formula | C10H7ClN2O3 |
| Molecular Weight | 238.01453 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.01453 Da |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C=[N+](N2)CC(=O)[O-] |
| InChIKey | OMQOSAQYIWUJKE-UHFFFAOYSA-N |
Chemical Property Profile of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt
Property Insights of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt. Following Lipinski's Rule of Five, cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt?
The CAS number of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt is 158631-53-9.
What is the molecular formula of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt?
The molecular formula of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt is C10H7ClN2O3.
What is the molecular weight of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt?
The molecular weight of cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt is 238.01453 g/mol.
Where can I buy cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt?
You can request a quote for cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt?
Yes, CoreyChem provides custom synthesis services for cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.