Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester
TL;DR: Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester (CAS 2425-19-6) is a chemical compound with molecular formula C9H11ClNO4PS and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl-ethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Du Pont 691, Du Pont-691, ENT 25,704-X, ENT-25704X, o-ethyl o-(4-nitrophenyl)(chloromethyl)phosphonothioate
| Molecular Formula | C9H11ClNO4PS |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.9835 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 2425-19-6 |
|---|---|
| SMILES | CCOP(=S)(CCl)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IDSATHNHWPBOFA-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester (CAS 2425-19-6), with molecular formula C9H11ClNO4PS and molecular weight 294.98 g/mol. IUPAC: chloromethyl-ethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester
Property Insights of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester
The XLogP value of 4.1 indicates that Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl 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, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl 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, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester?
The CAS number of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester is 2425-19-6.
What is the molecular formula of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester?
The molecular formula of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester is C9H11ClNO4PS.
What is the molecular weight of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester?
The molecular weight of Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester is 294.98 g/mol.
Where can I buy Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester?
You can request a quote for Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl 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, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.