Diethyl isopropenyl phosphate
TL;DR: Diethyl isopropenyl phosphate (CAS 5954-28-9) is a chemical compound with molecular formula C7H15O4P and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl prop-1-en-2-yl phosphate
Also Known As: Diethyl isopropenyl phosphate, diethyl prop-1-en-2-yl phosphate, Phosphoric acid, diethyl isopropenyl ester, Diethylisopropenylphosphate, Diethyl 1-methylvinyl phosphate
| Molecular Formula | C7H15O4P |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0708 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 5954-28-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=C)C |
| InChIKey | PSIRYXWQEOZQRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl isopropenyl phosphate (CAS 5954-28-9), with molecular formula C7H15O4P and molecular weight 194.07 g/mol. IUPAC: diethyl prop-1-en-2-yl phosphate.
Chemical Property Profile of Diethyl isopropenyl phosphate
Property Insights of Diethyl isopropenyl phosphate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isopropenyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl isopropenyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl isopropenyl phosphate has 0 hydrogen bond donor(s) and 4 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 isopropenyl phosphate?
The CAS number of Diethyl isopropenyl phosphate is 5954-28-9.
What is the molecular formula of Diethyl isopropenyl phosphate?
The molecular formula of Diethyl isopropenyl phosphate is C7H15O4P.
What is the molecular weight of Diethyl isopropenyl phosphate?
The molecular weight of Diethyl isopropenyl phosphate is 194.07 g/mol.
Where can I buy Diethyl isopropenyl phosphate?
You can request a quote for Diethyl isopropenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isopropenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isopropenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.