Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate
TL;DR: Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate (CAS 14394-26-4) is a chemical compound with molecular formula C8H17O4P and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dimethoxyphosphoryl-4-methylpentan-2-one
Also Known As: dimephosphon, Mitsefosfon, DIMEPHOSPHONE, DIMEPHOSPHONE [WHO-DD], Dimethyl (1,1-dimethyl-3-oxobutyl)phosphonate
| Molecular Formula | C8H17O4P |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.08644 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 14394-26-4 |
|---|---|
| SMILES | CC(=O)CC(C)(C)P(=O)(OC)OC |
| InChIKey | MOMJYWJXUNIBGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate (CAS 14394-26-4), with molecular formula C8H17O4P and molecular weight 208.09 g/mol. IUPAC: 4-dimethoxyphosphoryl-4-methylpentan-2-one.
Chemical Property Profile of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate
Property Insights of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate
The XLogP value of -0.3 indicates that Dimethyl P-(1,1-dimethyl-3-oxobutyl)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 P-(1,1-dimethyl-3-oxobutyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl P-(1,1-dimethyl-3-oxobutyl)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 P-(1,1-dimethyl-3-oxobutyl)phosphonate?
The CAS number of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate is 14394-26-4.
What is the molecular formula of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate?
The molecular formula of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate is C8H17O4P.
What is the molecular weight of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate?
The molecular weight of Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate is 208.09 g/mol.
Where can I buy Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate?
You can request a quote for Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.