Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester (CAS 18853-99-1) is a chemical compound with molecular formula C9H16NO4PS and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dimethyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester, O,O-Diethyl O-(4,5-dimethyl-3-isoxazolyl) phosphorothioate, (4,5-dimethyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-, O-(4,5-dimethyl-1,2-oxazol-3-yl) O,O-diethyl phosphorothioate, BRN 1217212
| Molecular Formula | C9H16NO4PS |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.05377 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 18853-99-1 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC(=C1C)C |
| InChIKey | MBCLLVSTFQCSOC-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester (CAS 18853-99-1), with molecular formula C9H16NO4PS and molecular weight 265.05 g/mol. IUPAC: (4,5-dimethyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester
The XLogP value of 3.3 indicates that Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-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-(4,5-dimethyl-3-isoxazolyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester is 18853-99-1.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester is C9H16NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester is 265.05 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-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-(4,5-dimethyl-3-isoxazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(4,5-dimethyl-3-isoxazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.