Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester
TL;DR: Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester (CAS 22371-93-3) is a chemical compound with molecular formula C12H18NO5PS and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-(3-methyl-4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester, O-Ethyl O-isopropyl O-(4-nitro-m-tolyl) phosphorothioate, o-ethyl o-(3-methyl-4-nitrophenyl) o-propan-2-yl phosphorothioate, ethoxy-(3-methyl-4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-, O-Ethyl O-(3-methyl-4-nitrophenyl) O-(propan-2-yl) phosphorothioate
| Molecular Formula | C12H18NO5PS |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.06433 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 22371-93-3 |
|---|---|
| SMILES | CCOP(=S)(OC1=CC(=C(C=C1)[N+](=O)[O-])C)OC(C)C |
| InChIKey | HBMCHNPSLBWODD-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester (CAS 22371-93-3), with molecular formula C12H18NO5PS and molecular weight 319.06 g/mol. IUPAC: ethoxy-(3-methyl-4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester
Property Insights of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester
The XLogP value of 4.5 indicates that Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) 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-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester?
The CAS number of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester is 22371-93-3.
What is the molecular formula of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester?
The molecular formula of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester is C12H18NO5PS.
What is the molecular weight of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester?
The molecular weight of Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester is 319.06 g/mol.
Where can I buy Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester?
You can request a quote for Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) 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-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-ethyl O-isopropyl O-(4-nitro-m-tolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.