Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate
TL;DR: Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate (CAS 3309-79-3) is a chemical compound with molecular formula C8H17O4PS and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-methylsulfanylprop-1-en-2-yl phosphate
Also Known As: Phosphoric acid, diethyl 1-methyl-2-(methylthio)ethenyl ester
| Molecular Formula | C8H17O4PS |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.05852 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3309-79-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=CSC)C |
| InChIKey | ZUCNWHJBRAUIQK-UHFFFAOYSA-N |
Product Overview
Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate (CAS 3309-79-3), with molecular formula C8H17O4PS and molecular weight 240.06 g/mol. IUPAC: diethyl 1-methylsulfanylprop-1-en-2-yl phosphate.
Chemical Property Profile of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate
Property Insights of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate. Following Lipinski's Rule of Five, Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate 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 Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate?
The CAS number of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate is 3309-79-3.
What is the molecular formula of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate?
The molecular formula of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate is C8H17O4PS.
What is the molecular weight of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate?
The molecular weight of Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate is 240.06 g/mol.
Where can I buy Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate?
You can request a quote for Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-methylsulfanylprop-1-en-2-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.