Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester
TL;DR: Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester (CAS 53605-27-9) is a chemical compound with molecular formula C12H19N2O4PS and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-cyclohexyloxypyridazin-3-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester, O-(6-(Cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl phosphorothioate, (6-cyclohexyloxypyridazin-3-yl)oxy-dimethoxy-sulfanylidene-, O-[6-(Cyclohexyloxy)pyridazin-3-yl] O,O-dimethyl phosphorothioate, BRN 0818900
| Molecular Formula | C12H19N2O4PS |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.08032 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 53605-27-9 |
|---|---|
| SMILES | COP(=S)(OC)OC1=NN=C(C=C1)OC2CCCCC2 |
| InChIKey | GLEMHGLQAWXSER-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester (CAS 53605-27-9), with molecular formula C12H19N2O4PS and molecular weight 318.08 g/mol. IUPAC: (6-cyclohexyloxypyridazin-3-yl)oxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester
Property Insights of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester
The XLogP value of 3.4 indicates that Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester has 0 hydrogen bond donor(s) and 7 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 Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester is 53605-27-9.
What is the molecular formula of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester is C12H19N2O4PS.
What is the molecular weight of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester is 318.08 g/mol.
Where can I buy Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(6-(cyclohexyloxy)-3-pyridazinyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.