Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester
TL;DR: Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester (CAS 3309-71-5) is a chemical compound with molecular formula C11H17O4PS2 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-(4-ethylsulfonylphenoxy)-methyl-sulfanylidene-λ5-phosphane
Also Known As: Bayer 30750, ENT 25,617, Benzene,1,2,4,5-tetrachloro-3-fluoro, O-Ethyl O-(4-(ethylsulfonyl)phenyl) methylphosphonothioate, MethylthiophosphonicacidO-ethylO-[p- phenyl]ester
| Molecular Formula | C11H17O4PS2 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.03058 |
| Heavy Atoms | 18 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 3309-71-5 |
|---|---|
| SMILES | CCOP(=S)(C)OC1=CC=C(C=C1)S(=O)(=O)CC |
| InChIKey | NOEYSRSSMYSCLW-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester (CAS 3309-71-5), with molecular formula C11H17O4PS2 and molecular weight 308.03 g/mol. IUPAC: ethoxy-(4-ethylsulfonylphenoxy)-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester
Property Insights of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)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, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester?
The CAS number of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester is 3309-71-5.
What is the molecular formula of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester?
The molecular formula of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester is C11H17O4PS2.
What is the molecular weight of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester?
The molecular weight of Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester is 308.03 g/mol.
Where can I buy Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester?
You can request a quote for Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)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, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylsulfonyl)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.