alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester
TL;DR: alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester (CAS 63980-05-2) is a chemical compound with molecular formula C11H15Cl2O3P and molecular weight 296.01358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-4-(diethoxyphosphorylmethyl)benzene
Also Known As: diethyl 3,4-dichlorobenzylphosphonate, diethyl(3,4-dichlorobenzyl)phosphonate, AI3-17476, [ methyl]phosphonicaciddiethylester, 3,4-Dichloro-alpha-toluenephosphonic acid diethyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15Cl2O3P |
| Molecular Weight | 296.01358 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.01358 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | CCOP(=O)(CC1=CC(=C(C=C1)Cl)Cl)OCC |
| InChIKey | YLRGYDLFTIIAOG-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester
Property Insights of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester
The XLogP value of 3.0 indicates that alpha-Toluenephosphonic acid, 3,4-dichloro-, 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, alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Toluenephosphonic acid, 3,4-dichloro-, 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
What is the CAS number of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester?
The CAS number of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester is 63980-05-2.
What is the molecular formula of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester?
The molecular formula of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester is C11H15Cl2O3P.
What is the molecular weight of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester?
The molecular weight of alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester is 296.01358 g/mol.
Where can I buy alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester?
You can request a quote for alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester?
Yes, CoreyChem provides custom synthesis services for alpha-Toluenephosphonic acid, 3,4-dichloro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.