Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt
TL;DR: Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt (CAS 96143-97-4) is a chemical compound with molecular formula C7H5K2NO6S and molecular weight 308.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;5-amino-2-sulfonatooxybenzoate
Also Known As: Bisfentidine, 5-ASA potassium salt, 5-Aminosalicylic acid-O-sulfate potassium salt, Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt, dipotassium 5-amino-2-sulfonatooxybenzoate
| Molecular Formula | C7H5K2NO6S |
|---|---|
| Molecular Weight | 308.91 g/mol |
| LogP | -7.5207 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.91116 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 96143-97-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C(=O)[O-])OS(=O)(=O)[O-].[K+].[K+] |
| InChIKey | CRGMKARRDAPJKR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt (CAS 96143-97-4), with molecular formula C7H5K2NO6S and molecular weight 308.91 g/mol. IUPAC: dipotassium;5-amino-2-sulfonatooxybenzoate.
Chemical Property Profile of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt
Property Insights of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt
The XLogP value of -7.5207 indicates that Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt?
The CAS number of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt is 96143-97-4.
What is the molecular formula of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt?
The molecular formula of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt is C7H5K2NO6S.
What is the molecular weight of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt?
The molecular weight of Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt is 308.91 g/mol.
Where can I buy Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt?
You can request a quote for Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-amino-2-(sulfooxy)-, dipotassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.