Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester (CAS 2799-95-3) is a chemical compound with molecular formula C12H19N2O5PS and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitroaniline
Also Known As: Bayer 60738, Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester, 5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitroaniline, O-[3-(Dimethylamino)-4-nitrophenyl] O,O-diethyl phosphorothioate, RefChem:371272
| Molecular Formula | C12H19N2O5PS |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.07523 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 2799-95-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC(=C(C=C1)[N+](=O)[O-])N(C)C |
| InChIKey | OGRGSNPQGHJTHE-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester (CAS 2799-95-3), with molecular formula C12H19N2O5PS and molecular weight 334.08 g/mol. IUPAC: 5-diethoxyphosphinothioyloxy-N,N-dimethyl-2-nitroaniline.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester
The XLogP value of 3.7 indicates that Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-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-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester is 2799-95-3.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester is C12H19N2O5PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester is 334.08 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-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-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(3-(dimethylamino)-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.