(3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 143767-54-8) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-2-Acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 964-582-6
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O |
| InChIKey | CNBQGXOEOOVTPA-NSHDSACASA-N |
Chemical Property Profile of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-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 (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 143767-54-8.
What is the molecular formula of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C12H13NO3.
What is the molecular weight of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 219.08954 g/mol.
Where can I buy (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3S)-2-acetyl-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 (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-2-acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.