Dimethyl mesitylmalonate
TL;DR: Dimethyl mesitylmalonate (CAS 107855-61-8) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
Also Known As: dimethyl mesitylmalonate, dimethyl 2-mesitylmalonate, 2-Mesitylmalonic acid dimethyl ester, Dimethyl 2-(2,4,6-trimethylphenyl)propanedioate, J2.566.336E
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | CC1=CC(=C(C(=C1)C)C(C(=O)OC)C(=O)OC)C |
| InChIKey | AVIDDPYGCWGVBM-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl mesitylmalonate
Property Insights of Dimethyl mesitylmalonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl mesitylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl mesitylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl mesitylmalonate 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
What is the CAS number of Dimethyl mesitylmalonate?
The CAS number of Dimethyl mesitylmalonate is 107855-61-8.
What is the molecular formula of Dimethyl mesitylmalonate?
The molecular formula of Dimethyl mesitylmalonate is C14H18O4.
What is the molecular weight of Dimethyl mesitylmalonate?
The molecular weight of Dimethyl mesitylmalonate is 250.12051 g/mol.
Where can I buy Dimethyl mesitylmalonate?
You can request a quote for Dimethyl mesitylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl mesitylmalonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl mesitylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.