Phosphonic acid, tolyl-, diethyl ester
TL;DR: Phosphonic acid, tolyl-, diethyl ester (CAS 1754-46-7) is a chemical compound with molecular formula C11H17O3P and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-2-methylbenzene
Also Known As: diethyl o-tolylphosphonate, Phosphonic acid, tolyl-, diethyl ester, 1-diethoxyphosphoryl-2-methylbenzene, o-Tolyl-phosphonic acid diethyl ester, Tolylphosphonic acid diethyl ester
| Molecular Formula | C11H17O3P |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.09154 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 1754-46-7 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=CC=C1C)OCC |
| InChIKey | XKEVSSUXQVVUNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, tolyl-, diethyl ester (CAS 1754-46-7), with molecular formula C11H17O3P and molecular weight 228.09 g/mol. IUPAC: 1-diethoxyphosphoryl-2-methylbenzene.
Chemical Property Profile of Phosphonic acid, tolyl-, diethyl ester
Property Insights of Phosphonic acid, tolyl-, diethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, tolyl-, diethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, tolyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, tolyl-, 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, tolyl-, diethyl ester?
The CAS number of Phosphonic acid, tolyl-, diethyl ester is 1754-46-7.
What is the molecular formula of Phosphonic acid, tolyl-, diethyl ester?
The molecular formula of Phosphonic acid, tolyl-, diethyl ester is C11H17O3P.
What is the molecular weight of Phosphonic acid, tolyl-, diethyl ester?
The molecular weight of Phosphonic acid, tolyl-, diethyl ester is 228.09 g/mol.
Where can I buy Phosphonic acid, tolyl-, diethyl ester?
You can request a quote for Phosphonic acid, tolyl-, 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, tolyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, tolyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.