Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester (CAS 53605-00-8) is a chemical compound with molecular formula C8H13N2O3PS and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-pyridazin-3-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl O-(3-pyridazinyl) phosphorothioate, Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester, 5-23-11-00077 (Beilstein Handbook Reference), diethoxy-pyridazin-3-yloxy-sulfanylidene-, O,O-Diethyl O-(pyridazin-3-yl) phosphorothioate
| Molecular Formula | C8H13N2O3PS |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.03845 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 53605-00-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NN=CC=C1 |
| InChIKey | SGLMCPUWLVMFNI-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester (CAS 53605-00-8), with molecular formula C8H13N2O3PS and molecular weight 248.04 g/mol. IUPAC: diethoxy-pyridazin-3-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester has 0 hydrogen bond donor(s) and 6 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-3-pyridazinyl ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester is 53605-00-8.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester is C8H13N2O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester is 248.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-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-3-pyridazinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.