Ammonium o-sulfobenzoate
TL;DR: Ammonium o-sulfobenzoate (CAS 6939-89-5) is a chemical compound with molecular formula C7H9NO5S and molecular weight 219.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-carboxybenzenesulfonate
Also Known As: ammonium o-sulfobenzoate, ammonium 2-sulfobenzoate, Ammonium o-sulfobenzoic acid, Ammonium-o-sulfobenzoic Acid, o-Sulfobenzoic acid, ammonium salt
| Molecular Formula | C7H9NO5S |
|---|---|
| Molecular Weight | 219.02 g/mol |
| LogP | 0.6651 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.02014 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 6939-89-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)[O-].[NH4+] |
| InChIKey | PJGXSCHDOCZUNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ammonium o-sulfobenzoate (CAS 6939-89-5), with molecular formula C7H9NO5S and molecular weight 219.02 g/mol. IUPAC: azanium 2-carboxybenzenesulfonate.
Chemical Property Profile of Ammonium o-sulfobenzoate
Property Insights of Ammonium o-sulfobenzoate
The XLogP value of 0.6651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium o-sulfobenzoate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium o-sulfobenzoate. Following Lipinski's Rule of Five, Ammonium o-sulfobenzoate 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
Frequently Asked Questions
What is the CAS number of Ammonium o-sulfobenzoate?
The CAS number of Ammonium o-sulfobenzoate is 6939-89-5.
What is the molecular formula of Ammonium o-sulfobenzoate?
The molecular formula of Ammonium o-sulfobenzoate is C7H9NO5S.
What is the molecular weight of Ammonium o-sulfobenzoate?
The molecular weight of Ammonium o-sulfobenzoate is 219.02 g/mol.
Where can I buy Ammonium o-sulfobenzoate?
You can request a quote for Ammonium o-sulfobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium o-sulfobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium o-sulfobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.