2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1008266-08-7) is a chemical compound with molecular formula C18H17NO6S and molecular weight 375.07767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
Technical Specifications
| Molecular Formula | C18H17NO6S |
| Molecular Weight | 375.07767 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07767 Da |
| Heavy Atoms | 26 |
| Complexity | 632.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)O |
| InChIKey | XJCOAAZKLUGMDL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-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 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1008266-08-7.
What is the molecular formula of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C18H17NO6S.
What is the molecular weight of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 375.07767 g/mol.
Where can I buy 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-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-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.