Dimethyl 2-oxo-2-phenylethylphosphonate
TL;DR: Dimethyl 2-oxo-2-phenylethylphosphonate (CAS 1015-28-7) is a chemical compound with molecular formula C10H13O4P and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethoxyphosphoryl-1-phenylethanone
Also Known As: dimethylphenacylphosphonate, Dimethyl 2-oxo-2-phenylethylphosphonate, DIMETHYL (2-OXO-2-PHENYLETHYL)PHOSPHONATE, 2-dimethoxyphosphoryl-1-phenylethanone, dimethyl (benzoylmethyl)phosphonate
| Molecular Formula | C10H13O4P |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05515 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 1015-28-7 |
|---|---|
| SMILES | COP(=O)(CC(=O)C1=CC=CC=C1)OC |
| InChIKey | MBYFZYKLKDLPEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-oxo-2-phenylethylphosphonate (CAS 1015-28-7), with molecular formula C10H13O4P and molecular weight 228.06 g/mol. IUPAC: 2-dimethoxyphosphoryl-1-phenylethanone.
Chemical Property Profile of Dimethyl 2-oxo-2-phenylethylphosphonate
Property Insights of Dimethyl 2-oxo-2-phenylethylphosphonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-oxo-2-phenylethylphosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-oxo-2-phenylethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-oxo-2-phenylethylphosphonate 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 Dimethyl 2-oxo-2-phenylethylphosphonate?
The CAS number of Dimethyl 2-oxo-2-phenylethylphosphonate is 1015-28-7.
What is the molecular formula of Dimethyl 2-oxo-2-phenylethylphosphonate?
The molecular formula of Dimethyl 2-oxo-2-phenylethylphosphonate is C10H13O4P.
What is the molecular weight of Dimethyl 2-oxo-2-phenylethylphosphonate?
The molecular weight of Dimethyl 2-oxo-2-phenylethylphosphonate is 228.06 g/mol.
Where can I buy Dimethyl 2-oxo-2-phenylethylphosphonate?
You can request a quote for Dimethyl 2-oxo-2-phenylethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-oxo-2-phenylethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-oxo-2-phenylethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.