O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate
TL;DR: O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate (CAS 29972-71-2) is a chemical compound with molecular formula C8H15O4PS and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[ethoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne
Also Known As: PhosphorothioicacidO-ethylO- S- ester, o-ethyl o-(2-methoxyethyl) s-prop-2-yn-1-yl phosphorothioate, O-Ethyl O-(beta-methoxyethyl) S-(prop-2-ynyl) phosphorothioate, 3-[ethoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne, ethyl 2-methoxyethyl (prop-2-yn-1-ylsulfanyl)phosphonate
| Molecular Formula | C8H15O4PS |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.04286 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 29972-71-2 |
|---|---|
| SMILES | CCOP(=O)(OCCOC)SCC#C |
| InChIKey | BLUDSFRIPALJCR-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate (CAS 29972-71-2), with molecular formula C8H15O4PS and molecular weight 238.04 g/mol. IUPAC: 3-[ethoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne.
Chemical Property Profile of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate
Property Insights of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate. Following Lipinski's Rule of Five, O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate 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 O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate?
The CAS number of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate is 29972-71-2.
What is the molecular formula of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate?
The molecular formula of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate is C8H15O4PS.
What is the molecular weight of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate?
The molecular weight of O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate is 238.04 g/mol.
Where can I buy O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate?
You can request a quote for O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate 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-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-(2-methoxyethyl) S-prop-2-yn-1-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.