(3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1214625-49-6) is a chemical compound with molecular formula C16H14N2O6S and molecular weight 362.05725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-[(2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid, (3S)-2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Technical Specifications
| Molecular Formula | C16H14N2O6S |
| Molecular Weight | 362.05725 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.05725 Da |
| Heavy Atoms | 25 |
| Complexity | 626.0 |
| SMILES | C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O |
| InChIKey | DCRZTRAVBRLBLM-AWEZNQCLSA-N |
Chemical Property Profile of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 7 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-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1214625-49-6.
What is the molecular formula of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C16H14N2O6S.
What is the molecular weight of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 362.05725 g/mol.
Where can I buy (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3S)-2-(2-Nitrobenzenesulfonyl)-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-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-2-(2-Nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.