2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1008987-50-5) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid, 2-Ethanesulfonyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid, G33000
Technical Specifications
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.07217 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.07217 Da |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
| SMILES | CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)O |
| InChIKey | DWCFVNOTHMYLBS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethanesulfonyl)-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 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(Ethanesulfonyl)-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-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1008987-50-5.
What is the molecular formula of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C12H15NO4S.
What is the molecular weight of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 269.07217 g/mol.
Where can I buy 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-(Ethanesulfonyl)-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-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Ethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.