Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester
TL;DR: Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester (CAS 328-04-1) is a chemical compound with molecular formula C11H15ClNO4PS and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenoxy)-ethyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-2404, Oms405, OMS 405, ENT 25,755, O-(2-Chloro-4-nitrophenyl) O-isopropyl ethylphosphonothioate
| Molecular Formula | C11H15ClNO4PS |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0148 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 328-04-1 |
|---|---|
| SMILES | CCP(=S)(OC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(C)C |
| InChIKey | QINWTFKFPMRNJP-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester (CAS 328-04-1), with molecular formula C11H15ClNO4PS and molecular weight 323.01 g/mol. IUPAC: (2-chloro-4-nitrophenoxy)-ethyl-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester
Property Insights of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester
The XLogP value of 4.7 indicates that Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester 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 Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester 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 Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester?
The CAS number of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester is 328-04-1.
What is the molecular formula of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester?
The molecular formula of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester is C11H15ClNO4PS.
What is the molecular weight of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester?
The molecular weight of Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester is 323.01 g/mol.
Where can I buy Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester?
You can request a quote for Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.