Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester
TL;DR: Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester (CAS 39004-94-9) is a chemical compound with molecular formula C13H11N2O7PS and molecular weight 370.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bis-methylparathion, Bis-methylparathion [Czech], ThiophosphoricacidO,O-bis O-methylester, O-Methyl-O,O-bis-(p-nitrofenyl)thiofosfat, Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester
| Molecular Formula | C13H11N2O7PS |
|---|---|
| Molecular Weight | 370.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.00247 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 39004-94-9 |
|---|---|
| SMILES | COP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AQAXQJMWHPFBPU-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester (CAS 39004-94-9), with molecular formula C13H11N2O7PS and molecular weight 370.00 g/mol. IUPAC: methoxy-bis(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester
Property Insights of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester
The XLogP value of 4.5 indicates that Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester has 0 hydrogen bond donor(s) and 8 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-bis(p-nitrophenyl) O-methyl ester?
The CAS number of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester is 39004-94-9.
What is the molecular formula of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester?
The molecular formula of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester is C13H11N2O7PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester?
The molecular weight of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester is 370.00 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester?
You can request a quote for Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl 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-bis(p-nitrophenyl) O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.