4-Nitrobenzenediazonium toluene-4-sulphonate
TL;DR: 4-Nitrobenzenediazonium toluene-4-sulphonate (CAS 1947-33-7) is a chemical compound with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;4-nitrobenzenediazonium
Also Known As: 4-Nitrobenzenediazonium toluene-4-sulphonate, 4-NITROBENZENEDIAZONIUM TOSYLATE, p-Nitrobenzol-Diazonium-p-Toluolsulfonat, 4-methylbenzenesulfonate;4-nitrobenzenediazonium, 4-nitrobenzenediazonium 4-methylbenzenesulfonate
| Molecular Formula | C13H11N3O5S |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 2.98 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.04193 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 1947-33-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1[N+]#N)[N+](=O)[O-] |
| InChIKey | OZERWKFPYAZZIL-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzenediazonium toluene-4-sulphonate (CAS 1947-33-7), with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol. IUPAC: 4-methylbenzenesulfonate;4-nitrobenzenediazonium.
Chemical Property Profile of 4-Nitrobenzenediazonium toluene-4-sulphonate
Property Insights of 4-Nitrobenzenediazonium toluene-4-sulphonate
The XLogP value of 2.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzenediazonium toluene-4-sulphonate. The TPSA of 140.0 Ų indicates high polarity, suggesting 4-Nitrobenzenediazonium toluene-4-sulphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrobenzenediazonium toluene-4-sulphonate has 0 hydrogen bond donor(s) and 6 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 4-Nitrobenzenediazonium toluene-4-sulphonate?
The CAS number of 4-Nitrobenzenediazonium toluene-4-sulphonate is 1947-33-7.
What is the molecular formula of 4-Nitrobenzenediazonium toluene-4-sulphonate?
The molecular formula of 4-Nitrobenzenediazonium toluene-4-sulphonate is C13H11N3O5S.
What is the molecular weight of 4-Nitrobenzenediazonium toluene-4-sulphonate?
The molecular weight of 4-Nitrobenzenediazonium toluene-4-sulphonate is 321.04 g/mol.
Where can I buy 4-Nitrobenzenediazonium toluene-4-sulphonate?
You can request a quote for 4-Nitrobenzenediazonium toluene-4-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzenediazonium toluene-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzenediazonium toluene-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.