(S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
TL;DR: (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid (CAS 128502-54-5) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Also Known As: J1.063.436I, (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (3S)-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (S)-1,2,3,4-Tetrahydro-5-methyl-3-isoquinolinecarboxylic acid
Technical Specifications
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.09464 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.09464 Da |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
| SMILES | CC1=C2C[C@H](NCC2=CC=C1)C(=O)O |
| InChIKey | QLFCCSYNIFSINY-JTQLQIEISA-N |
Chemical Property Profile of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
Property Insights of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
The XLogP value of -0.3 indicates that (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-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 56.7 Ų, (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid 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 (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid?
The CAS number of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid is 128502-54-5.
What is the molecular formula of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid?
The molecular formula of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid is C11H13NO2.
What is the molecular weight of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid?
The molecular weight of (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid is 191.09464 g/mol.
Where can I buy (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid?
You can request a quote for (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid?
Yes, CoreyChem provides custom synthesis services for (S)-5-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.