Dimethyl (1-oxopropyl)phosphonate
TL;DR: Dimethyl (1-oxopropyl)phosphonate (CAS 51463-65-1) is a chemical compound with molecular formula C5H11O4P and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylpropan-1-one
Also Known As: Dimethyl (1-oxopropyl)phosphonate, 1-dimethoxyphosphorylpropan-1-one, dimethyl 1-oxopropanephosphonate, DIMETHYL PROPANOYLPHOSPHONATE, Propanoylphosphonic acid dimethyl ester
| Molecular Formula | C5H11O4P |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.03949 |
| Heavy Atoms | 10 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 51463-65-1 |
|---|---|
| SMILES | CCC(=O)P(=O)(OC)OC |
| InChIKey | FBNFBEFWEPIJQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (1-oxopropyl)phosphonate (CAS 51463-65-1), with molecular formula C5H11O4P and molecular weight 166.04 g/mol. IUPAC: 1-dimethoxyphosphorylpropan-1-one.
Chemical Property Profile of Dimethyl (1-oxopropyl)phosphonate
Property Insights of Dimethyl (1-oxopropyl)phosphonate
The XLogP value of -0.3 indicates that Dimethyl (1-oxopropyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl (1-oxopropyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (1-oxopropyl)phosphonate 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 (1-oxopropyl)phosphonate?
The CAS number of Dimethyl (1-oxopropyl)phosphonate is 51463-65-1.
What is the molecular formula of Dimethyl (1-oxopropyl)phosphonate?
The molecular formula of Dimethyl (1-oxopropyl)phosphonate is C5H11O4P.
What is the molecular weight of Dimethyl (1-oxopropyl)phosphonate?
The molecular weight of Dimethyl (1-oxopropyl)phosphonate is 166.04 g/mol.
Where can I buy Dimethyl (1-oxopropyl)phosphonate?
You can request a quote for Dimethyl (1-oxopropyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (1-oxopropyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (1-oxopropyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.