2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
TL;DR: 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (CAS 1101199-16-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, BAS 02238636, 2-Ethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CCN1CC2=CC=CC=C2CC1C(=O)O |
| InChIKey | TXYDLJGQBRAFBU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
Property Insights of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
The XLogP value of -0.5 indicates that 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
The CAS number of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is 1101199-16-9.
What is the molecular formula of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
The molecular formula of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is C12H15NO2.
What is the molecular weight of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
The molecular weight of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid is 205.11028 g/mol.
Where can I buy 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
You can request a quote for 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.