Bis(1,1-dimethylethyl) phosphonate
TL;DR: Bis(1,1-dimethylethyl) phosphonate (CAS 13086-84-5) is a chemical compound with molecular formula C8H18O3P+ and molecular weight 193.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(2-methylpropan-2-yl)oxy]-oxophosphanium
Also Known As: di-tert-butyl phosphonate, di-tert-Butyl phosphite, Di-tert-butylphosphite, ditert-butyl phosphite, di-t-butyl phosphonate
| Molecular Formula | C8H18O3P+ |
|---|---|
| Molecular Weight | 193.10 g/mol |
| LogP | 3.274 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.09935 |
| Heavy Atoms | 12 |
| Complexity | 146.12224 |
Chemical Identifiers
| CAS Number | 13086-84-5 |
|---|---|
| SMILES | CC(C)(C)O[P+](=O)OC(C)(C)C |
Product Overview
Bis(1,1-dimethylethyl) phosphonate (CAS 13086-84-5), with molecular formula C8H18O3P+ and molecular weight 193.10 g/mol. IUPAC: bis[(2-methylpropan-2-yl)oxy]-oxophosphanium.
Chemical Property Profile of Bis(1,1-dimethylethyl) phosphonate
Property Insights of Bis(1,1-dimethylethyl) phosphonate
The XLogP value of 3.274 indicates that Bis(1,1-dimethylethyl) phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Bis(1,1-dimethylethyl) phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1,1-dimethylethyl) phosphonate 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 Bis(1,1-dimethylethyl) phosphonate?
The CAS number of Bis(1,1-dimethylethyl) phosphonate is 13086-84-5.
What is the molecular formula of Bis(1,1-dimethylethyl) phosphonate?
The molecular formula of Bis(1,1-dimethylethyl) phosphonate is C8H18O3P+.
What is the molecular weight of Bis(1,1-dimethylethyl) phosphonate?
The molecular weight of Bis(1,1-dimethylethyl) phosphonate is 193.10 g/mol.
Where can I buy Bis(1,1-dimethylethyl) phosphonate?
You can request a quote for Bis(1,1-dimethylethyl) phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1,1-dimethylethyl) phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1,1-dimethylethyl) phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.