O-Ethyl O-quinolin-6-yl methylphosphonothioate
TL;DR: O-Ethyl O-quinolin-6-yl methylphosphonothioate (CAS 58995-43-0) is a chemical compound with molecular formula C12H14NO2PS and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-methyl-quinolin-6-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 69588, BAY 69588, ENT 27,399, o-ethyl o-quinolin-6-yl methylphosphonothioate, O-Ethyl O-6-quinolinyl methylphosphonothioate
| Molecular Formula | C12H14NO2PS |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.04828 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 58995-43-0 |
|---|---|
| SMILES | CCOP(=S)(C)OC1=CC2=C(C=C1)N=CC=C2 |
| InChIKey | CNVMYWKLVZLEKV-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-quinolin-6-yl methylphosphonothioate (CAS 58995-43-0), with molecular formula C12H14NO2PS and molecular weight 267.05 g/mol. IUPAC: ethoxy-methyl-quinolin-6-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Ethyl O-quinolin-6-yl methylphosphonothioate
Property Insights of O-Ethyl O-quinolin-6-yl methylphosphonothioate
The XLogP value of 3.7 indicates that O-Ethyl O-quinolin-6-yl methylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl O-quinolin-6-yl methylphosphonothioate. Following Lipinski's Rule of Five, O-Ethyl O-quinolin-6-yl methylphosphonothioate has 0 hydrogen bond donor(s) and 4 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-quinolin-6-yl methylphosphonothioate?
The CAS number of O-Ethyl O-quinolin-6-yl methylphosphonothioate is 58995-43-0.
What is the molecular formula of O-Ethyl O-quinolin-6-yl methylphosphonothioate?
The molecular formula of O-Ethyl O-quinolin-6-yl methylphosphonothioate is C12H14NO2PS.
What is the molecular weight of O-Ethyl O-quinolin-6-yl methylphosphonothioate?
The molecular weight of O-Ethyl O-quinolin-6-yl methylphosphonothioate is 267.05 g/mol.
Where can I buy O-Ethyl O-quinolin-6-yl methylphosphonothioate?
You can request a quote for O-Ethyl O-quinolin-6-yl methylphosphonothioate 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-quinolin-6-yl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-quinolin-6-yl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.