![Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate structure](/static/products/1680/168021-79-2.webp)
Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
TL;DR: Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate (CAS 168021-79-2) is a chemical compound with molecular formula C11H13NNa2O7S2 and molecular weight 380.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
Also Known As: Disufenton sodium, Cerovive, Disodium, Disufenton sodique, Disufenton de sodio
| Molecular Formula | C11H13NNa2O7S2 |
|---|---|
| Molecular Weight | 380.99 g/mol |
| LogP | -5.7695 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.9929 |
| Heavy Atoms | 23 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 168021-79-2 |
|---|---|
| SMILES | CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+] |
| InChIKey | XLZOVRYBVCMCGL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate (CAS 168021-79-2), with molecular formula C11H13NNa2O7S2 and molecular weight 380.99 g/mol. IUPAC: disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate.
Chemical Property Profile of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
Property Insights of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
The XLogP value of -5.7695 indicates that Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate has 0 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 Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate?
The CAS number of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate is 168021-79-2.
What is the molecular formula of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate?
The molecular formula of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate is C11H13NNa2O7S2.
What is the molecular weight of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate?
The molecular weight of Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate is 380.99 g/mol.
Where can I buy Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate?
You can request a quote for Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.