Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester (CAS 39624-86-7) is a chemical compound with molecular formula C9H13FNO3PS and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[(6-fluoro-3-pyridinyl)oxy]-sulfanylidene-λ5-phosphane
Also Known As: 3,4-Dihydroxybenzohydrazide, Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester, diethoxy-(6-fluoropyridin-3-yl)oxy-sulfanylidene, diethoxy-(6-fluoropyridin-3-yl)oxy-sulfanylidene-, O,O-Diethyl O-(6-fluoro-2-pyridyl ester phosphorothioic) acid
| Molecular Formula | C9H13FNO3PS |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.03378 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 39624-86-7 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CN=C(C=C1)F |
| InChIKey | DTWQOKPPRNFERL-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester (CAS 39624-86-7), with molecular formula C9H13FNO3PS and molecular weight 265.03 g/mol. IUPAC: diethoxy-[(6-fluoro-3-pyridinyl)oxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester
The XLogP value of 3.2 indicates that Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) 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-(6-fluoro-2-pyridyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester is 39624-86-7.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester is C9H13FNO3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester is 265.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) 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-fluoro-2-pyridyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(6-fluoro-2-pyridyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.