O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate
TL;DR: O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate (CAS 13955-16-3) is a chemical compound with molecular formula C11H16NO5PS and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O-Ethyl O-isopropyl O-(p-nitrophenyl) phosphorothioate, O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate, Phosphorothioic acid, O-ethyl O-isopropyl O-(p-nitrophenyl) ester, ethoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-, O-ethyl O-4-nitrophenyl O-propan-2-yl phosphorothioate
| Molecular Formula | C11H16NO5PS |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.04868 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 13955-16-3 |
|---|---|
| SMILES | CCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C |
| InChIKey | QNXJOVPEPUEUIF-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate (CAS 13955-16-3), with molecular formula C11H16NO5PS and molecular weight 305.05 g/mol. IUPAC: ethoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate
Property Insights of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate
The XLogP value of 4.3 indicates that O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate 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 O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate. Following Lipinski's Rule of Five, O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate 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 O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate?
The CAS number of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate is 13955-16-3.
What is the molecular formula of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate?
The molecular formula of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate is C11H16NO5PS.
What is the molecular weight of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate?
The molecular weight of O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate is 305.05 g/mol.
Where can I buy O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate?
You can request a quote for O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-(4-nitrophenyl) O-propan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.