磷酸二乙基2-丙炔-1-基酯
TL;DR: 磷酸二乙基2-丙炔-1-基酯 (CAS 17118-80-8) is a chemical compound with molecular formula C7H13O4P and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸二乙基2-丙炔-1-基酯
diethyl prop-2-ynyl phosphate
Also Known As: diethyl prop-2-ynyl phosphate, Diethyl 2-propynyl phosphate, Ethyl 2-propynyl phosphate, Diethylpropargylphosphate, diethyl prop-2-yn-1-yl phosphate
| Molecular Formula | C7H13O4P |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.05515 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 17118-80-8 |
|---|---|
| SMILES | CCOP(=O)(OCC)OCC#C |
| InChIKey | BURXZHCIEDSVSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸二乙基2-丙炔-1-基酯 (CAS 17118-80-8), with molecular formula C7H13O4P and molecular weight 192.06 g/mol. IUPAC: diethyl prop-2-ynyl phosphate.
Chemical Property Profile of 磷酸二乙基2-丙炔-1-基酯
Property Insights of 磷酸二乙基2-丙炔-1-基酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸二乙基2-丙炔-1-基酯. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸二乙基2-丙炔-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸二乙基2-丙炔-1-基酯 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 磷酸二乙基2-丙炔-1-基酯?
The CAS number of 磷酸二乙基2-丙炔-1-基酯 is 17118-80-8.
What is the molecular formula of 磷酸二乙基2-丙炔-1-基酯?
The molecular formula of 磷酸二乙基2-丙炔-1-基酯 is C7H13O4P.
What is the molecular weight of 磷酸二乙基2-丙炔-1-基酯?
The molecular weight of 磷酸二乙基2-丙炔-1-基酯 is 192.06 g/mol.
Where can I buy 磷酸二乙基2-丙炔-1-基酯?
You can request a quote for 磷酸二乙基2-丙炔-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸二乙基2-丙炔-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸二乙基2-丙炔-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.