Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt
TL;DR: Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt (CAS 64425-96-3) is a chemical compound with molecular formula C8H6KN3O7S and molecular weight 326.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 4-(aziridin-1-yl)-3,5-dinitrobenzenesulfonate
Also Known As: 4-Aziridino-3,5-dinitrobenzenesulfonic acid potassium salt, Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt, 2,6-Dinitrophenylethyleneimine-4-sulphonic acid potassium salt, potassium 4-(aziridin-1-yl)-3,5-dinitrobenzenesulfonate, Potassium 4-(aziridin-1-yl)-3,5-dinitrobenzene-1-sulfonate
| Molecular Formula | C8H6KN3O7S |
|---|---|
| Molecular Weight | 326.96 g/mol |
| LogP | -2.7689 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.95636 |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 64425-96-3 |
|---|---|
| SMILES | C1CN1C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[K+] |
| InChIKey | OGVWHUDJCNJKNB-UHFFFAOYSA-M |
Product Overview
Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt (CAS 64425-96-3), with molecular formula C8H6KN3O7S and molecular weight 326.96 g/mol. IUPAC: potassium 4-(aziridin-1-yl)-3,5-dinitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt
Property Insights of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt
The XLogP value of -2.7689 indicates that Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt has 0 hydrogen bond donor(s) and 8 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 Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt?
The CAS number of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt is 64425-96-3.
What is the molecular formula of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt?
The molecular formula of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt is C8H6KN3O7S.
What is the molecular weight of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt?
The molecular weight of Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt is 326.96 g/mol.
Where can I buy Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt?
You can request a quote for Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-aziridino-3,5-dinitro-, potassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.