4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)
TL;DR: 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) (CAS 56968-76-4) is a chemical compound with molecular formula C7H9NO5S and molecular weight 219.02014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azanium 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonate
Also Known As: Ammonium tropolone-5-sulfonate, 1,3,6-CYCLOHEPTATRIENE-1-SULFONIC ACID, 4-HYDROXY-5-OXO-, MONOAMMONIUM SALT, azanium 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonate, 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)
Technical Specifications
| Molecular Formula | C7H9NO5S |
| Molecular Weight | 219.02014 g/mol |
| XLogP | 0.03 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.02014 Da |
| Heavy Atoms | 14 |
| Complexity | 405.0 |
| SMILES | C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])O.[NH4+] |
| InChIKey | MAAVRKRPVOQSCB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)
Property Insights of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1). Following Lipinski's Rule of Five, 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) has 2 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 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)?
The CAS number of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) is 56968-76-4.
What is the molecular formula of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)?
The molecular formula of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) is C7H9NO5S.
What is the molecular weight of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)?
The molecular weight of 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) is 219.02014 g/mol.
Where can I buy 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)?
You can request a quote for 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1)?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonic acid--ammonia (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.