O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate
TL;DR: O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate (CAS 29777-85-3) is a chemical compound with molecular formula C7H13O4PS and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[methoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne
Also Known As: PhosphorothioicacidO- O-methylS- ester, O-(beta-Methoxyethyl) O-methyl S-(prop-2-ynyl) phosphorothioate, 3-[methoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne, O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate, Phosphorothioic acid, O-(beta-methoxyethyl) O-methyl S-(prop-2-ynyl) ester
| Molecular Formula | C7H13O4PS |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.02722 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 29777-85-3 |
|---|---|
| SMILES | COCCOP(=O)(OC)SCC#C |
| InChIKey | JBVOUMDVJOUOOW-UHFFFAOYSA-N |
Product Overview
O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate (CAS 29777-85-3), with molecular formula C7H13O4PS and molecular weight 224.03 g/mol. IUPAC: 3-[methoxy(2-methoxyethoxy)phosphoryl]sulfanylprop-1-yne.
Chemical Property Profile of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate
Property Insights of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate
The XLogP value of -0.1 indicates that O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate. Following Lipinski's Rule of Five, O-(2-Methoxyethyl) O-methyl 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-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate?
The CAS number of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate is 29777-85-3.
What is the molecular formula of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate?
The molecular formula of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate is C7H13O4PS.
What is the molecular weight of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate?
The molecular weight of O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate is 224.03 g/mol.
Where can I buy O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate?
You can request a quote for O-(2-Methoxyethyl) O-methyl 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-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Methoxyethyl) O-methyl S-prop-2-yn-1-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.