Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)
TL;DR: Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) (CAS 52510-63-1) is a chemical compound with molecular formula C17H20N2O6S2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium;hydrogen sulfate
Also Known As: 4-(p-Tolylthio)-2,5-diethoxybenzenediazonium sulfate, Benzenediazonium, 2,5-diethoxy-4-[(4-methylphenyl)thio]-, sulfate (1:1), 2,5-diethoxy-4-[(4-methylphenyl)sulfanyl]benzenediazonium hydrogen sulfate, Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1), 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium; hydrogen sulfate
| Molecular Formula | C17H20N2O6S2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.43 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0763 |
| Heavy Atoms | 27 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 52510-63-1 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.OS(=O)(=O)[O-] |
| InChIKey | OLRCWHAJJTXUCH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) (CAS 52510-63-1), with molecular formula C17H20N2O6S2 and molecular weight 412.08 g/mol. IUPAC: 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium;hydrogen sulfate.
Chemical Property Profile of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)
Property Insights of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)
The XLogP value of 4.43 indicates that Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) has 1 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 Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)?
The CAS number of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) is 52510-63-1.
What is the molecular formula of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)?
The molecular formula of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) is C17H20N2O6S2.
What is the molecular weight of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)?
The molecular weight of Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) is 412.08 g/mol.
Where can I buy Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)?
You can request a quote for Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.