RefChem:117418
TL;DR: RefChem:117418 (CAS 41749-18-2) is a chemical compound with molecular formula C17H19BF4N2O2S and molecular weight 402.12 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 tetrafluoroborate
Also Known As: 2-BUTYLNAPHTHALENE, 2,5-Diethoxy-4-(p-tolylthio)benzenediazonium tetrafluoroborate, 4-(p-Tolyl)thio-2,5-diethoxybenzenediazonium fluoroborate, 4-Diazo-2,5-diethoxy-1-(4-tolylmercapto)benzene, tetrafluoborate, Benzenediazonium, 2,5-diethoxy-4-(p-tolylthio)-, tetrafluoroborate
| Molecular Formula | C17H19BF4N2O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 6.7282 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.11963 |
| Heavy Atoms | 27 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 41749-18-2 |
|---|---|
| SMILES | [B-](F)(F)(F)F.CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C |
| InChIKey | AODYSPVOHILJJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:117418 (CAS 41749-18-2), with molecular formula C17H19BF4N2O2S and molecular weight 402.12 g/mol. IUPAC: 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium tetrafluoroborate.
Chemical Property Profile of RefChem:117418
Property Insights of RefChem:117418
The XLogP value of 6.7282 indicates that RefChem:117418 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:117418. Following Lipinski's Rule of Five, RefChem:117418 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117418?
The CAS number of RefChem:117418 is 41749-18-2.
What is the molecular formula of RefChem:117418?
The molecular formula of RefChem:117418 is C17H19BF4N2O2S.
What is the molecular weight of RefChem:117418?
The molecular weight of RefChem:117418 is 402.12 g/mol.
Where can I buy RefChem:117418?
You can request a quote for RefChem:117418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117418?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.