Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate
TL;DR: Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate (CAS 814-16-4) is a chemical compound with molecular formula C10H21O4P and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-3,3-dimethylbutan-2-one
Also Known As: Diethyl phosphonate, Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate, 1-diethoxyphosphoryl-3,3-dimethylbutan-2-one, diethyl(3,3-dimethyl-2-oxobutyl)phosphonate, 1-(Diethoxyphosphinyl)-3,3-dimethyl-2-butanone
| Molecular Formula | C10H21O4P |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.11775 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 814-16-4 |
|---|---|
| SMILES | CCOP(=O)(CC(=O)C(C)(C)C)OCC |
| InChIKey | LOUZJUCIRJMGHZ-UHFFFAOYSA-N |
Product Overview
Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate (CAS 814-16-4), with molecular formula C10H21O4P and molecular weight 236.12 g/mol. IUPAC: 1-diethoxyphosphoryl-3,3-dimethylbutan-2-one.
Chemical Property Profile of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate
Property Insights of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (3,3-dimethyl-2-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 Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate?
The CAS number of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate is 814-16-4.
What is the molecular formula of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate?
The molecular formula of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate is C10H21O4P.
What is the molecular weight of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate?
The molecular weight of Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate is 236.12 g/mol.
Where can I buy Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate?
You can request a quote for Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.