Diethyl P-((4-methylphenyl)methyl)phosphonate
TL;DR: Diethyl P-((4-methylphenyl)methyl)phosphonate (CAS 3762-25-2) is a chemical compound with molecular formula C12H19O3P and molecular weight 242.10718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diethoxyphosphorylmethyl)-4-methylbenzene
Also Known As: diethyl 4-methylbenzylphosphonate, Diethyl (4-methylbenzyl)phosphonate, diethyl 4-MBzP, 1qw7, Diethyl(4-methylbenzyl)phosphonate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H19O3P |
| Molecular Weight | 242.10718 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.10718 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)C)OCC |
| InChIKey | QKGBKPZAXXBLJE-UHFFFAOYSA-N |
Product Description
Applications: Diethyl P-((4-methylphenyl)methyl)phosphonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Diethyl P-((4-methylphenyl)methyl)phosphonate is a heterocyclic building block identified by CAS number 3762-25-2 and the molecular formula C12H19O3P and a molecular weight of 242.11 g/mol. Synonyms include diethyl 4-methylbenzylphosphonate and Diethyl (4-methylbenzyl)phosphonate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Diethyl P-((4-methylphenyl)methyl)phosphonate
Property Insights of Diethyl P-((4-methylphenyl)methyl)phosphonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl P-((4-methylphenyl)methyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl P-((4-methylphenyl)methyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl P-((4-methylphenyl)methyl)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
What is the CAS number of Diethyl P-((4-methylphenyl)methyl)phosphonate?
The CAS number of Diethyl P-((4-methylphenyl)methyl)phosphonate is 3762-25-2.
What is the molecular formula of Diethyl P-((4-methylphenyl)methyl)phosphonate?
The molecular formula of Diethyl P-((4-methylphenyl)methyl)phosphonate is C12H19O3P.
What is the molecular weight of Diethyl P-((4-methylphenyl)methyl)phosphonate?
The molecular weight of Diethyl P-((4-methylphenyl)methyl)phosphonate is 242.10718 g/mol.
What are the applications of Diethyl P-((4-methylphenyl)methyl)phosphonate?
Diethyl P-((4-methylphenyl)methyl)phosphonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Diethyl P-((4-methylphenyl)methyl)phosphonate?
You can request a quote for Diethyl P-((4-methylphenyl)methyl)phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl P-((4-methylphenyl)methyl)phosphonate?
Yes, CoreyChem provides custom synthesis services for Diethyl P-((4-methylphenyl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.