Anabasine sulfate mixed with thiophos (1:1)
TL;DR: Anabasine sulfate mixed with thiophos (1:1) (CAS 42465-65-6) is a chemical compound with molecular formula C20H30N3O9PS2 and molecular weight 551.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;3-[(2S)-piperidin-2-yl]pyridine;sulfuric acid
Also Known As: Anabasine sulfate mixed with thiophos (1:1), diethoxy-(4-nitrophenoxy)-sulfanylidene-, diethoxy-(4-nitrophenoxy)-thioxo-phosphorane; 3-[(2s)-2-piperidyl]pyridine; sulfuric acid, Anabasine, sulfate mixed with phosphorothioic acid O,O-diethyl O-(p-nitrophenyl) ester (1:1), RefChem:1076965
| Molecular Formula | C20H30N3O9PS2 |
|---|---|
| Molecular Weight | 551.12 g/mol |
| LogP | 4.5145 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 551.1161 |
| Heavy Atoms | 35 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 42465-65-6 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-].C1CCN[C@@H](C1)C2=CN=CC=C2.OS(=O)(=O)O |
| InChIKey | PZZDPGFHAIANQL-XRIOVQLTSA-N |
Product Overview
Anabasine sulfate mixed with thiophos (1:1) (CAS 42465-65-6), with molecular formula C20H30N3O9PS2 and molecular weight 551.12 g/mol. IUPAC: diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;3-[(2S)-piperidin-2-yl]pyridine;sulfuric acid.
Chemical Property Profile of Anabasine sulfate mixed with thiophos (1:1)
Property Insights of Anabasine sulfate mixed with thiophos (1:1)
The XLogP value of 4.5145 indicates that Anabasine sulfate mixed with thiophos (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting Anabasine sulfate mixed with thiophos (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anabasine sulfate mixed with thiophos (1:1) has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anabasine sulfate mixed with thiophos (1:1)?
The CAS number of Anabasine sulfate mixed with thiophos (1:1) is 42465-65-6.
What is the molecular formula of Anabasine sulfate mixed with thiophos (1:1)?
The molecular formula of Anabasine sulfate mixed with thiophos (1:1) is C20H30N3O9PS2.
What is the molecular weight of Anabasine sulfate mixed with thiophos (1:1)?
The molecular weight of Anabasine sulfate mixed with thiophos (1:1) is 551.12 g/mol.
Where can I buy Anabasine sulfate mixed with thiophos (1:1)?
You can request a quote for Anabasine sulfate mixed with thiophos (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anabasine sulfate mixed with thiophos (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Anabasine sulfate mixed with thiophos (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.