Diethyl 3-methylbenzyl phosphate
TL;DR: Diethyl 3-methylbenzyl phosphate (CAS 106969-11-3) is a chemical compound with molecular formula C12H19O4P and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (3-methylphenyl)methyl phosphate
Also Known As: diethyl 3-methylbenzyl phosphate, diethyl (3-methylphenyl)methyl phosphate, Phosphoricacid, diethyl (3-methylphenyl)methyl ester, RefChem:337882
| Molecular Formula | C12H19O4P |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.10208 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 106969-11-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)OCC1=CC=CC(=C1)C |
| InChIKey | RKOTXEBTOFHCTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-methylbenzyl phosphate (CAS 106969-11-3), with molecular formula C12H19O4P and molecular weight 258.10 g/mol. IUPAC: diethyl (3-methylphenyl)methyl phosphate.
Chemical Property Profile of Diethyl 3-methylbenzyl phosphate
Property Insights of Diethyl 3-methylbenzyl phosphate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-methylbenzyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl 3-methylbenzyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3-methylbenzyl phosphate has 0 hydrogen bond donor(s) and 4 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 Diethyl 3-methylbenzyl phosphate?
The CAS number of Diethyl 3-methylbenzyl phosphate is 106969-11-3.
What is the molecular formula of Diethyl 3-methylbenzyl phosphate?
The molecular formula of Diethyl 3-methylbenzyl phosphate is C12H19O4P.
What is the molecular weight of Diethyl 3-methylbenzyl phosphate?
The molecular weight of Diethyl 3-methylbenzyl phosphate is 258.10 g/mol.
Where can I buy Diethyl 3-methylbenzyl phosphate?
You can request a quote for Diethyl 3-methylbenzyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methylbenzyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methylbenzyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.