Methylacetylphosphonate
TL;DR: Methylacetylphosphonate (CAS 40962-37-6) is a chemical compound with molecular formula C3H7O5P and molecular weight 154.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-2-oxoethyl)phosphonic acid
Also Known As: Methylacetylphosphonate, Methyl acetyl phosphate, (2-methoxy-2-oxoethyl)phosphonic acid, methyl phosphonoacetate, Methyl phosphonoacetaldehyde
| Molecular Formula | C3H7O5P |
|---|---|
| Molecular Weight | 154.00 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.00311 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 40962-37-6 |
|---|---|
| SMILES | COC(=O)CP(=O)(O)O |
| InChIKey | LLJFNWVJKMVHIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylacetylphosphonate (CAS 40962-37-6), with molecular formula C3H7O5P and molecular weight 154.00 g/mol. IUPAC: (2-methoxy-2-oxoethyl)phosphonic acid.
Chemical Property Profile of Methylacetylphosphonate
Property Insights of Methylacetylphosphonate
The XLogP value of -1.7 indicates that Methylacetylphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylacetylphosphonate. Following Lipinski's Rule of Five, Methylacetylphosphonate has 2 hydrogen bond donor(s) and 5 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 Methylacetylphosphonate?
The CAS number of Methylacetylphosphonate is 40962-37-6.
What is the molecular formula of Methylacetylphosphonate?
The molecular formula of Methylacetylphosphonate is C3H7O5P.
What is the molecular weight of Methylacetylphosphonate?
The molecular weight of Methylacetylphosphonate is 154.00 g/mol.
Where can I buy Methylacetylphosphonate?
You can request a quote for Methylacetylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylacetylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Methylacetylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.