Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester
TL;DR: Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester (CAS 101756-25-6) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-(4-methylphenyl)propoxy]-3-oxopropanoic acid
Also Known As: AF 450, 3-[1-(4-methylphenyl)propoxy]-3-oxopropanoic acid, alpha-Ethyl-p-methylbenzyl ester of malonic acid, MALONIC ACID, MONO(alpha-ETHYL-p-METHYLBENZYL) ESTER, Propanedioic acid,1-[1-(4-methylphenyl)propyl] ester
Technical Specifications
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | CCC(C1=CC=C(C=C1)C)OC(=O)CC(=O)O |
| InChIKey | DXFANIGIQOZRMR-UHFFFAOYSA-N |
Chemical Property Profile of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester
Property Insights of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester. Following Lipinski's Rule of Five, Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester?
The CAS number of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester is 101756-25-6.
What is the molecular formula of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester?
The molecular formula of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester is C13H16O4.
What is the molecular weight of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester?
The molecular weight of Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester is 236.10486 g/mol.
Where can I buy Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester?
You can request a quote for Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester?
Yes, CoreyChem provides custom synthesis services for Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.