Diethyl tert-butylphosphonate
TL;DR: Diethyl tert-butylphosphonate (CAS 19935-93-4) is a chemical compound with molecular formula C8H19O3P and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphoryl-2-methylpropane
Also Known As: Diethyl tert-butylphosphonate, 2-diethoxyphosphoryl-2-methylpropane, tert-Butyl-phosphonic acid diethyl ester, BAS 00315019, Diethyl P-(1,1-dimethylethyl)phosphonate
| Molecular Formula | C8H19O3P |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.10718 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 19935-93-4 |
|---|---|
| SMILES | CCOP(=O)(C(C)(C)C)OCC |
| InChIKey | XZNUCIHUJKMHQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl tert-butylphosphonate (CAS 19935-93-4), with molecular formula C8H19O3P and molecular weight 194.11 g/mol. IUPAC: 2-diethoxyphosphoryl-2-methylpropane.
Chemical Property Profile of Diethyl tert-butylphosphonate
Property Insights of Diethyl tert-butylphosphonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl tert-butylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl tert-butylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl tert-butylphosphonate has 0 hydrogen bond donor(s) and 3 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 tert-butylphosphonate?
The CAS number of Diethyl tert-butylphosphonate is 19935-93-4.
What is the molecular formula of Diethyl tert-butylphosphonate?
The molecular formula of Diethyl tert-butylphosphonate is C8H19O3P.
What is the molecular weight of Diethyl tert-butylphosphonate?
The molecular weight of Diethyl tert-butylphosphonate is 194.11 g/mol.
Where can I buy Diethyl tert-butylphosphonate?
You can request a quote for Diethyl tert-butylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl tert-butylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl tert-butylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.