O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate
TL;DR: O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate (CAS 7699-30-1) is a chemical compound with molecular formula C7H8NO5PS and molecular weight 248.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-methoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Desmethyl parathion, Desmethyl methyl parathion, Desmethyl methylparathion, Demethyl methyl parathion, Parathion-methyl, demethyl-
| Molecular Formula | C7H8NO5PS |
|---|---|
| Molecular Weight | 248.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.98608 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 7699-30-1 |
|---|---|
| SMILES | COP(=S)(O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | UEMHPBBZLQPEBN-UHFFFAOYSA-N |
Product Overview
O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate (CAS 7699-30-1), with molecular formula C7H8NO5PS and molecular weight 248.99 g/mol. IUPAC: hydroxy-methoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate
Property Insights of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate. Following Lipinski's Rule of Five, O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate has 1 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 O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate?
The CAS number of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate is 7699-30-1.
What is the molecular formula of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate?
The molecular formula of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate is C7H8NO5PS.
What is the molecular weight of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate?
The molecular weight of O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate is 248.99 g/mol.
Where can I buy O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate?
You can request a quote for O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl O-(4-nitrophenyl) hydrogen phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.