tert-Butyl diethylphosphonoacetate
TL;DR: tert-Butyl diethylphosphonoacetate (CAS 27784-76-5) is a chemical compound with molecular formula C10H21O5P and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-diethoxyphosphorylacetate
Also Known As: tert-Butyl diethylphosphonoacetate, tert-butyl 2-(diethoxyphosphoryl)acetate, Diethyl (Boc-methyl)phosphonate, tert-butyl 2-diethoxyphosphorylacetate, tert-Butyldichlorophosphine
| Molecular Formula | C10H21O5P |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.5942 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11266 |
| Heavy Atoms | 16 |
| Complexity | 258.87317 |
Chemical Identifiers
| CAS Number | 27784-76-5 |
|---|---|
| SMILES | CCOP(=O)(CC(=O)OC(C)(C)C)OCC |
Product Overview
tert-Butyl diethylphosphonoacetate (CAS 27784-76-5), with molecular formula C10H21O5P and molecular weight 252.11 g/mol. IUPAC: tert-butyl 2-diethoxyphosphorylacetate.
Chemical Property Profile of tert-Butyl diethylphosphonoacetate
Property Insights of tert-Butyl diethylphosphonoacetate
The XLogP value of 2.5942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl diethylphosphonoacetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl diethylphosphonoacetate. Following Lipinski's Rule of Five, tert-Butyl diethylphosphonoacetate has 0 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 tert-Butyl diethylphosphonoacetate?
The CAS number of tert-Butyl diethylphosphonoacetate is 27784-76-5.
What is the molecular formula of tert-Butyl diethylphosphonoacetate?
The molecular formula of tert-Butyl diethylphosphonoacetate is C10H21O5P.
What is the molecular weight of tert-Butyl diethylphosphonoacetate?
The molecular weight of tert-Butyl diethylphosphonoacetate is 252.11 g/mol.
Where can I buy tert-Butyl diethylphosphonoacetate?
You can request a quote for tert-Butyl diethylphosphonoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl diethylphosphonoacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl diethylphosphonoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.