(3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1212460-60-0) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.05653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid, (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, (S)-2-(Methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Technical Specifications
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.05653 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05653 Da |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
| SMILES | CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O |
| InChIKey | IMIKNCFPHJZMGM-JTQLQIEISA-N |
Chemical Property Profile of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-2-methanesulfonyl-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 (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1212460-60-0.
What is the molecular formula of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C11H13NO4S.
What is the molecular weight of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 255.05653 g/mol.
Where can I buy (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3S)-2-methanesulfonyl-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-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.