Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester (CAS 59417-73-1) is a chemical compound with molecular formula C9H12NO6PS and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-dimethoxyphosphinothioyloxy-2-nitrophenyl)methanol
Also Known As: Hydroxymethylfenitrothion, 3-Hydroxymethylfenitrothion, (5-dimethoxyphosphinothioyloxy-2-nitrophenyl)methanol, Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester, O-[3-(hydroxymethyl)-4-nitrophenyl] O,O-dimethyl phosphorothioate
| Molecular Formula | C9H12NO6PS |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0123 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 59417-73-1 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])CO |
| InChIKey | ZNSZNFFRGOFSNM-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester (CAS 59417-73-1), with molecular formula C9H12NO6PS and molecular weight 293.01 g/mol. IUPAC: (5-dimethoxyphosphinothioyloxy-2-nitrophenyl)methanol.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester has 1 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 Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester is 59417-73-1.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester is C9H12NO6PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester is 293.01 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-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,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.