Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester (CAS 18853-92-4) is a chemical compound with molecular formula C7H12NO4PS and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(1,2-oxazol-3-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl O-(3-isoxazolyl) phosphorothioate, Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester, diethoxy-(1,2-oxazol-3-yloxy)-sulfanylidene-, O,O-Diethyl O-(1,2-oxazol-3-yl) phosphorothioate, BRN 1215631
| Molecular Formula | C7H12NO4PS |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.02246 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 18853-92-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC=C1 |
| InChIKey | JMXKZIXDUCUBTJ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester (CAS 18853-92-4), with molecular formula C7H12NO4PS and molecular weight 237.02 g/mol. IUPAC: diethoxy-(1,2-oxazol-3-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) 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-isoxazolyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester is 18853-92-4.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester is C7H12NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester is 237.02 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) 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-isoxazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.