2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1212485-84-1) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2,5-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, 2-[(2,5-dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2,5-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
Technical Specifications
| Molecular Formula | C18H19NO4S |
| Molecular Weight | 345.1035 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1035 Da |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O |
| InChIKey | MEUUIIBIEUNLPI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 3.0 indicates that 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1212485-84-1.
What is the molecular formula of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C18H19NO4S.
What is the molecular weight of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 345.1035 g/mol.
Where can I buy 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-(2,5-Dimethylbenzenesulfonyl)-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-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.