O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate
TL;DR: O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate (CAS 13361-94-9) is a chemical compound with molecular formula C11H16NO4PS and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Germanamine,pentamethyl-(9CI), O-Isopropyl O-(p-nitrophenyl) ethylphosphonothioate, o-isopropyl o-(4-nitrophenyl)ethylphosphonothioate, Ethylphosphonothioic acid O-isopropyl O-(p-nitrophenyl) ester, O-(4-nitrophenyl) O-propan-2-yl ethylphosphonothioate
| Molecular Formula | C11H16NO4PS |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05377 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 13361-94-9 |
|---|---|
| SMILES | CCP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C |
| InChIKey | WTXJPHFZRRJHGY-UHFFFAOYSA-N |
Product Overview
O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate (CAS 13361-94-9), with molecular formula C11H16NO4PS and molecular weight 289.05 g/mol. IUPAC: ethyl-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate
Property Insights of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate
The XLogP value of 4.0 indicates that O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate. Following Lipinski's Rule of Five, O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate has 0 hydrogen bond donor(s) and 5 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-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate?
The CAS number of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate is 13361-94-9.
What is the molecular formula of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate?
The molecular formula of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate is C11H16NO4PS.
What is the molecular weight of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate?
The molecular weight of O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate is 289.05 g/mol.
Where can I buy O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate?
You can request a quote for O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Nitrophenyl) O-propan-2-yl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.