Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate
TL;DR: Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate (CAS 1024196-16-4) 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.
ethyl 2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-carboxylate
Also Known As: ethyl 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate, ETHYL 2,5,5-TRIMETHYL-7-OXO-3,4,5,6-TETRAHYDRO-3-OXAINDENECARBOXYLATE, ethyl 2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-carboxylate, Ethyl 2,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-3-carboxylate, Ethyl 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
| SMILES | CCOC(=O)C1=C(OC2=C1C(=O)CC(C2)(C)C)C |
| InChIKey | WNIJIQDININTIA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate
Property Insights of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate. With a topological polar surface area (TPSA) of 56.5 Ų, Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate 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 Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate?
The CAS number of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate is 1024196-16-4.
What is the molecular formula of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate?
The molecular formula of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate is C14H18O4.
What is the molecular weight of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate?
The molecular weight of Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate is 250.12051 g/mol.
Where can I buy Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate?
You can request a quote for Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,5,5-trimethyl-7-oxo-3,4,5,6-tetrahydro-3-oxaindenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.