Phosphoric acid, dimethyl 2-propynyl ester
TL;DR: Phosphoric acid, dimethyl 2-propynyl ester (CAS 56379-74-9) is a chemical compound with molecular formula C5H9O4P and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl prop-2-ynyl phosphate
Also Known As: Dimethyl 2-propynyl phosphate, Phosphate de dimethylpropargyl, dimethyl prop-2-ynyl phosphate, Phosphoric acid, dimethyl 2-propynyl ester, Phosphate de dimethylpropargyl [French]
| Molecular Formula | C5H9O4P |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.02385 |
| Heavy Atoms | 10 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 56379-74-9 |
|---|---|
| SMILES | COP(=O)(OC)OCC#C |
| InChIKey | QUXVOPRUXVTIAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, dimethyl 2-propynyl ester (CAS 56379-74-9), with molecular formula C5H9O4P and molecular weight 164.02 g/mol. IUPAC: dimethyl prop-2-ynyl phosphate.
Chemical Property Profile of Phosphoric acid, dimethyl 2-propynyl ester
Property Insights of Phosphoric acid, dimethyl 2-propynyl ester
The XLogP value of -0.4 indicates that Phosphoric acid, dimethyl 2-propynyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, dimethyl 2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dimethyl 2-propynyl ester 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 Phosphoric acid, dimethyl 2-propynyl ester?
The CAS number of Phosphoric acid, dimethyl 2-propynyl ester is 56379-74-9.
What is the molecular formula of Phosphoric acid, dimethyl 2-propynyl ester?
The molecular formula of Phosphoric acid, dimethyl 2-propynyl ester is C5H9O4P.
What is the molecular weight of Phosphoric acid, dimethyl 2-propynyl ester?
The molecular weight of Phosphoric acid, dimethyl 2-propynyl ester is 164.02 g/mol.
Where can I buy Phosphoric acid, dimethyl 2-propynyl ester?
You can request a quote for Phosphoric acid, dimethyl 2-propynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, dimethyl 2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dimethyl 2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.