Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester
TL;DR: Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester (CAS 6587-45-7) is a chemical compound with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-ethyl-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bayer 48792, BAY 48792, ENT 27,277, AI3-27277, 17??-acetoxy-3-chloroandrosta-3,5-diene
| Molecular Formula | C11H17O3PS2 |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.03568 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 6587-45-7 |
|---|---|
| SMILES | CCOP(=S)(CC)OC1=CC=C(C=C1)S(=O)C |
| InChIKey | YNWMEIIUHWBTKK-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester (CAS 6587-45-7), with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol. IUPAC: ethoxy-ethyl-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester
Property Insights of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) 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-ethyl O-(p-(methylsulfinyl)phenyl) ester?
The CAS number of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester is 6587-45-7.
What is the molecular formula of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester?
The molecular formula of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester is C11H17O3PS2.
What is the molecular weight of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester?
The molecular weight of Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester is 292.04 g/mol.
Where can I buy Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester?
You can request a quote for Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) 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-ethyl O-(p-(methylsulfinyl)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, ethyl-, O-ethyl O-(p-(methylsulfinyl)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.