Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester (CAS 59417-72-0) is a chemical compound with molecular formula C9H10NO6PS and molecular weight 291.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde
Also Known As: Formylfenitrothion, 3-Formylfenitrothion, Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester, 5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde, J1.601.889I
| Molecular Formula | C9H10NO6PS |
|---|---|
| Molecular Weight | 291.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.99664 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 59417-72-0 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C=O |
| InChIKey | FTYFFKWTWYUKLS-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester (CAS 59417-72-0), with molecular formula C9H10NO6PS and molecular weight 291.00 g/mol. IUPAC: 5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester 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 Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester is 59417-72-0.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester is C9H10NO6PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester is 291.00 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(3-formyl-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-formyl-4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(3-formyl-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.