tert-Butyl Dimethylphosphonoacetate
TL;DR: tert-Butyl Dimethylphosphonoacetate (CAS 62327-21-3) is a chemical compound with molecular formula C8H17O5P and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-dimethoxyphosphorylacetate
Also Known As: tert-Butyl 2-(dimethoxyphosphoryl)acetate, tert-Butyl O,O-dimethylphosphonoacetate, Tert-butyl 2-dimethoxyphosphorylacetate, tert-Butyl P,P-dimethylphosphonoacetate, tert-butyl dimethylphosphonoacetate
| Molecular Formula | C8H17O5P |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.814 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.08136 |
| Heavy Atoms | 14 |
| Complexity | 234.60641 |
Chemical Identifiers
| CAS Number | 62327-21-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CP(=O)(OC)OC |
Product Overview
tert-Butyl Dimethylphosphonoacetate (CAS 62327-21-3), with molecular formula C8H17O5P and molecular weight 224.08 g/mol. IUPAC: tert-butyl 2-dimethoxyphosphorylacetate.
Chemical Property Profile of tert-Butyl Dimethylphosphonoacetate
Property Insights of tert-Butyl Dimethylphosphonoacetate
The XLogP value of 1.814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl Dimethylphosphonoacetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl Dimethylphosphonoacetate. Following Lipinski's Rule of Five, tert-Butyl Dimethylphosphonoacetate 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 Dimethylphosphonoacetate?
The CAS number of tert-Butyl Dimethylphosphonoacetate is 62327-21-3.
What is the molecular formula of tert-Butyl Dimethylphosphonoacetate?
The molecular formula of tert-Butyl Dimethylphosphonoacetate is C8H17O5P.
What is the molecular weight of tert-Butyl Dimethylphosphonoacetate?
The molecular weight of tert-Butyl Dimethylphosphonoacetate is 224.08 g/mol.
Where can I buy tert-Butyl Dimethylphosphonoacetate?
You can request a quote for tert-Butyl Dimethylphosphonoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl Dimethylphosphonoacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl Dimethylphosphonoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.