Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester
TL;DR: Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester (CAS 28652-49-5) is a chemical compound with molecular formula C11H14Cl3O3P and molecular weight 329.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-2-(trichloromethyl)benzene
Also Known As: diethyl trichloromethylphenylphosphonate, (alpha,alpha,alpha-Trichlorotolyl)phosphonic acid diethyl ester, Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester, 1-diethoxyphosphoryl-2-(trichloromethyl)benzene, Diethyl [2-(trichloromethyl)phenyl]phosphonate
| Molecular Formula | C11H14Cl3O3P |
|---|---|
| Molecular Weight | 329.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.9746 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 28652-49-5 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=CC=C1C(Cl)(Cl)Cl)OCC |
| InChIKey | NBZLAHSLQHMJAR-UHFFFAOYSA-N |
Product Overview
Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester (CAS 28652-49-5), with molecular formula C11H14Cl3O3P and molecular weight 329.97 g/mol. IUPAC: 1-diethoxyphosphoryl-2-(trichloromethyl)benzene.
Chemical Property Profile of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester
Property Insights of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester
The XLogP value of 3.4 indicates that Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl 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 (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester?
The CAS number of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester is 28652-49-5.
What is the molecular formula of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester?
The molecular formula of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester is C11H14Cl3O3P.
What is the molecular weight of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester?
The molecular weight of Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester is 329.97 g/mol.
Where can I buy Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester?
You can request a quote for Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl 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 (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid (alpha,alpha,alpha-trichlorotolyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.