Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester (CAS 31971-68-3) is a chemical compound with molecular formula C13H23N2O4PS and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(6-pentoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester, O,O-Diethyl O-(6-(pentyloxy)-3-pyridazinyl) phosphorothioate, diethoxy-(6-pentoxypyridazin-3-yl)oxy-sulfanylidene-, Nona-N-methyl-4,4',4''-methantriyl-tri-anilinium,Tris-jodid, O,O-diethyl O-[6-(pentyloxy)pyridazin-3-yl] phosphorothioate
| Molecular Formula | C13H23N2O4PS |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 334.1116 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 31971-68-3 |
|---|---|
| SMILES | CCCCCOC1=NN=C(C=C1)OP(=S)(OCC)OCC |
| InChIKey | MPBQHLHEVDGUJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester (CAS 31971-68-3), with molecular formula C13H23N2O4PS and molecular weight 334.11 g/mol. IUPAC: diethoxy-(6-pentoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester
The XLogP value of 4.1 indicates that Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) 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,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) 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,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester is 31971-68-3.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester is C13H23N2O4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester is 334.11 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) 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,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(6-(pentyloxy)-3-pyridazinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.