benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt
TL;DR: benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt (CAS 49860-08-4) is a chemical compound with molecular formula C7H5NNa2O6S and molecular weight 276.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-amino-2-sulfonatooxybenzoate
Also Known As: 5-ASA sulfate sodium salt, 5-Aminosalicylic acid-O-sulfate sodium salt, Benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt, disodium 5-amino-2-sulfonatooxybenzoate, DISODIUM 5-AMINO-2-(SULFONATOOXY)BENZOATE
| Molecular Formula | C7H5NNa2O6S |
|---|---|
| Molecular Weight | 276.96 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 | 276.9633 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 49860-08-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | IQVBZXYZZMELLU-UHFFFAOYSA-L |
Product Overview
benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt (CAS 49860-08-4), with molecular formula C7H5NNa2O6S and molecular weight 276.96 g/mol. IUPAC: disodium;5-amino-2-sulfonatooxybenzoate.
Chemical Property Profile of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt
Property Insights of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt
The XLogP value of -7.5207 indicates that benzoic acid, 5-amino-2-(sulfooxy)-, disodium 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)-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzoic acid, 5-amino-2-(sulfooxy)-, disodium 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)-, disodium salt?
The CAS number of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt is 49860-08-4.
What is the molecular formula of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt?
The molecular formula of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt is C7H5NNa2O6S.
What is the molecular weight of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt?
The molecular weight of benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt is 276.96 g/mol.
Where can I buy benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt?
You can request a quote for benzoic acid, 5-amino-2-(sulfooxy)-, disodium 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)-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for benzoic acid, 5-amino-2-(sulfooxy)-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.