RefChem:117416
TL;DR: RefChem:117416 (CAS 4986-70-3) is a chemical compound with molecular formula C17H19F6N2O2PS and molecular weight 460.08 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 hexafluorophosphate
Also Known As: 4-(p-Tolylthio)-2,5-diethoxybenzenediazonium hexafluorophosphate, 2,5-diethoxy-4-[(p-tolyl)thio]benzenediazonium hexafluorophosphate, Benzenediazonium, 2,5-diethoxy-4-[(4-methylphenyl)thio]-, hexafluorophosphate(1-), 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium hexafluorophosphate, 4-Diazonium-2,5-diethoxy-1-(4-tolylmercapto)benzene, hexafluorophosphate
| Molecular Formula | C17H19F6N2O2PS |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 8.8106 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0809 |
| Heavy Atoms | 29 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 4986-70-3 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.F[P-](F)(F)(F)(F)F |
| InChIKey | LGTSHOIRCZPMIY-UHFFFAOYSA-N |
Product Overview
RefChem:117416 (CAS 4986-70-3), with molecular formula C17H19F6N2O2PS and molecular weight 460.08 g/mol. IUPAC: 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium hexafluorophosphate.
Chemical Property Profile of RefChem:117416
Property Insights of RefChem:117416
The XLogP value of 8.8106 indicates that RefChem:117416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117416. Following Lipinski's Rule of Five, RefChem:117416 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117416?
The CAS number of RefChem:117416 is 4986-70-3.
What is the molecular formula of RefChem:117416?
The molecular formula of RefChem:117416 is C17H19F6N2O2PS.
What is the molecular weight of RefChem:117416?
The molecular weight of RefChem:117416 is 460.08 g/mol.
Where can I buy RefChem:117416?
You can request a quote for RefChem:117416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117416?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.