2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1212098-06-0) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2-Chloro-acetyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, 2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid, (S)-2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Technical Specifications
| Molecular Formula | C12H12ClNO3 |
| Molecular Weight | 253.05057 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05057 Da |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| SMILES | C1C(N(CC2=CC=CC=C21)C(=O)CCl)C(=O)O |
| InChIKey | VLTRMJIHFUUWHZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroacetyl)-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 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1212098-06-0.
What is the molecular formula of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C12H12ClNO3.
What is the molecular weight of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 253.05057 g/mol.
Where can I buy 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-(2-Chloroacetyl)-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 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.