Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester (CAS 597-88-6) is a chemical compound with molecular formula C10H14NO5PS and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(ethylsulfanyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: Isoparathion, S-ETHYL PARATHION, O,S-Diethyl O-(p-nitrophenyl) phosphorothioate, O,S-Diethyl-O-p-nitrofenylthiofosfat, O,S-Diethyl O-(4-nitrophenyl)thiophosphate
| Molecular Formula | C10H14NO5PS |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.03302 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 597-88-6 |
|---|---|
| SMILES | CCOP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])SCC |
| InChIKey | BGWJTLLALYACOG-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester (CAS 597-88-6), with molecular formula C10H14NO5PS and molecular weight 291.03 g/mol. IUPAC: 1-[ethoxy(ethylsulfanyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) 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,S-diethyl O-(4-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester is 597-88-6.
What is the molecular formula of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester is C10H14NO5PS.
What is the molecular weight of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester is 291.03 g/mol.
Where can I buy Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) 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,S-diethyl O-(4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,S-diethyl O-(4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.