Phosphonic acid, 2,2-dimethylpropyl phenyl ester
TL;DR: Phosphonic acid, 2,2-dimethylpropyl phenyl ester (CAS 21879-32-3) is a chemical compound with molecular formula C11H16O3P+ and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropoxy-oxo-phenoxyphosphanium
Also Known As: Neopentyl phenyl phosphite, Phenyl neopentyl phosphite, 2,2-dimethylpropyl phenyl phosphonate, Phosphonic acid, 2,2-dimethylpropyl phenyl ester, 2,2-dimethylpropoxy-oxo-phenoxyphosphanium
| Molecular Formula | C11H16O3P+ |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 3.7855 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.08371 |
| Heavy Atoms | 15 |
| Complexity | 316.35495 |
Chemical Identifiers
| CAS Number | 21879-32-3 |
|---|---|
| SMILES | CC(C)(C)CO[P+](=O)OC1=CC=CC=C1 |
Product Overview
Phosphonic acid, 2,2-dimethylpropyl phenyl ester (CAS 21879-32-3), with molecular formula C11H16O3P+ and molecular weight 227.08 g/mol. IUPAC: 2,2-dimethylpropoxy-oxo-phenoxyphosphanium.
Chemical Property Profile of Phosphonic acid, 2,2-dimethylpropyl phenyl ester
Property Insights of Phosphonic acid, 2,2-dimethylpropyl phenyl ester
The XLogP value of 3.7855 indicates that Phosphonic acid, 2,2-dimethylpropyl phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphonic acid, 2,2-dimethylpropyl phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, 2,2-dimethylpropyl phenyl ester 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 Phosphonic acid, 2,2-dimethylpropyl phenyl ester?
The CAS number of Phosphonic acid, 2,2-dimethylpropyl phenyl ester is 21879-32-3.
What is the molecular formula of Phosphonic acid, 2,2-dimethylpropyl phenyl ester?
The molecular formula of Phosphonic acid, 2,2-dimethylpropyl phenyl ester is C11H16O3P+.
What is the molecular weight of Phosphonic acid, 2,2-dimethylpropyl phenyl ester?
The molecular weight of Phosphonic acid, 2,2-dimethylpropyl phenyl ester is 227.08 g/mol.
Where can I buy Phosphonic acid, 2,2-dimethylpropyl phenyl ester?
You can request a quote for Phosphonic acid, 2,2-dimethylpropyl phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, 2,2-dimethylpropyl phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, 2,2-dimethylpropyl phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.