Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
TL;DR: Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate (CAS 14309-24-1) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate
Also Known As: Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate, dimethyl 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate, J1.290.443F, 11P-115, 1,2-dimethyl 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.10486 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.10486 Da |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
| SMILES | CC1=C(CC(=C(C1)C(=O)OC)C(=O)OC)C |
| InChIKey | CVFAUXQYWPECKA-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
Property Insights of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate 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 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate?
The CAS number of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate is 14309-24-1.
What is the molecular formula of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate?
The molecular formula of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate is C12H16O4.
What is the molecular weight of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate?
The molecular weight of Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate is 224.10486 g/mol.
Where can I buy Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate?
You can request a quote for Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.