Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester (CAS 18853-95-7) is a chemical compound with molecular formula C6H10NO4PS and molecular weight 223.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-[(5-methyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
Also Known As: diethyl 1,3-benzoxazol-2-ylmethylphosphonate, dimethoxy-[(5-methyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane, O,O-Dimethyl O-(5-methyl-3-isoxazolyl) phosphorothioate, DIMETHOXY-(5-METHYLOXAZOL-3-YL)OXY-SULFANYLIDENE-PHOSPHORANE, Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester
| Molecular Formula | C6H10NO4PS |
|---|---|
| Molecular Weight | 223.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.00682 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 18853-95-7 |
|---|---|
| SMILES | CC1=CC(=NO1)OP(=S)(OC)OC |
| InChIKey | SYNNQIQTIKNLGT-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester (CAS 18853-95-7), with molecular formula C6H10NO4PS and molecular weight 223.01 g/mol. IUPAC: dimethoxy-[(5-methyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(5-methyl-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-dimethyl O-(5-methyl-3-isoxazolyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester is 18853-95-7.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester is C6H10NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester is 223.01 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(5-methyl-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-dimethyl O-(5-methyl-3-isoxazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(5-methyl-3-isoxazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.