Diethyl 2,5-dimethoxybenzylmalonate
TL;DR: Diethyl 2,5-dimethoxybenzylmalonate (CAS 20452-51-1) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[(2,5-dimethoxyphenyl)methyl]propanedioate
Also Known As: DIETHYL MALONATE, diethyl 2,5-dimethoxybenzylmalonate, Diethyl (2,5-dimethoxybenzyl)malonate, diethyl(2,5-dimethoxybenzyl)malonate, Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester
Technical Specifications
| Molecular Formula | C16H22O6 |
| Molecular Weight | 310.14163 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.14163 Da |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
| SMILES | CCOC(=O)C(CC1=C(C=CC(=C1)OC)OC)C(=O)OCC |
| InChIKey | HJUFGOPKAMIEDJ-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2,5-dimethoxybenzylmalonate
Property Insights of Diethyl 2,5-dimethoxybenzylmalonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,5-dimethoxybenzylmalonate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-dimethoxybenzylmalonate. Following Lipinski's Rule of Five, Diethyl 2,5-dimethoxybenzylmalonate has 0 hydrogen bond donor(s) and 6 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 2,5-dimethoxybenzylmalonate?
The CAS number of Diethyl 2,5-dimethoxybenzylmalonate is 20452-51-1.
What is the molecular formula of Diethyl 2,5-dimethoxybenzylmalonate?
The molecular formula of Diethyl 2,5-dimethoxybenzylmalonate is C16H22O6.
What is the molecular weight of Diethyl 2,5-dimethoxybenzylmalonate?
The molecular weight of Diethyl 2,5-dimethoxybenzylmalonate is 310.14163 g/mol.
Where can I buy Diethyl 2,5-dimethoxybenzylmalonate?
You can request a quote for Diethyl 2,5-dimethoxybenzylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2,5-dimethoxybenzylmalonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2,5-dimethoxybenzylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.