1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate
TL;DR: 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate (CAS 149360-80-5) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate
Also Known As: Cyclohexyl Ethyl 2-methylidenepropanedioate, 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate, Methylenemalonic acid 1-ethyl 3-cyclohexyl ester, CYCLOHEXYL 1-ETHYL 2-METHYLIDENEPROPANEDIOATE, Propanedioic acid, methylene-, cyclohexyl ethyl ester, homopolymer
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.12051 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | CCOC(=O)C(=C)C(=O)OC1CCCCC1 |
| InChIKey | YMBZXNZJVMOFQV-UHFFFAOYSA-N |
Chemical Property Profile of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate
Property Insights of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate 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 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate?
The CAS number of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate is 149360-80-5.
What is the molecular formula of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate?
The molecular formula of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate is C12H18O4.
What is the molecular weight of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate?
The molecular weight of 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate is 226.12051 g/mol.
Where can I buy 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate?
You can request a quote for 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate?
Yes, CoreyChem provides custom synthesis services for 1-O-cyclohexyl 3-O-ethyl 2-methylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.