Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
TL;DR: Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate (CAS 109839-13-6) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
Also Known As: 2H-Isoindole-1-carboxylicacid, Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate, ethyl 5-methyl-3,4-tetramethylene-2-pyrrolecarboxylate, 2H-Isoindole-1-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-, ethyl ester, Ethyl3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CCOC(=O)C1=C2CCCCC2=C(N1)C |
| InChIKey | LPIWPKRIDUUDJR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
Property Insights of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
The XLogP value of 3.0 indicates that Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate has 1 hydrogen bond donor(s) and 2 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 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
The CAS number of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate is 109839-13-6.
What is the molecular formula of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
The molecular formula of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate is C12H17NO2.
What is the molecular weight of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
The molecular weight of Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate is 207.12593 g/mol.
Where can I buy Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
You can request a quote for Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.