O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
TL;DR: O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate (CAS 886-80-6) is a chemical compound with molecular formula C8H12FN2O3PS and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 55937, o-[2-(fluoromethyl)-6-methylpyrimidin-4-yl] o,o-dimethyl phosphorothioate, Phosphorothioic acid, O,O-dimethyl O-(2-(fluoromethyl)-6-methyl-4-pyrimidinyl) ester, O,O-Dimethyl O-(2-(fluoromethyl)-6-methyl-4-pyrimidinyl) phosphorothioic acid, [2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-
| Molecular Formula | C8H12FN2O3PS |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.02902 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 886-80-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)CF)OP(=S)(OC)OC |
| InChIKey | CWTAQPHQDNPAAO-UHFFFAOYSA-N |
Product Overview
O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate (CAS 886-80-6), with molecular formula C8H12FN2O3PS and molecular weight 266.03 g/mol. IUPAC: [2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
Property Insights of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate. Following Lipinski's Rule of Five, O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate has 0 hydrogen bond donor(s) and 7 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 O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate?
The CAS number of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate is 886-80-6.
What is the molecular formula of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate?
The molecular formula of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate is C8H12FN2O3PS.
What is the molecular weight of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate?
The molecular weight of O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate is 266.03 g/mol.
Where can I buy O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate?
You can request a quote for O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.