![3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole structure](/static/products/7063/7063-05-0.webp)
3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole
TL;DR: 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole (CAS 7063-05-0) is a chemical compound with molecular formula C17H15N3O2S2 and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole
Also Known As: 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole, 2-(Benzenesulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline, 2-(benzenesulfonyl)-1-(1,2,5-thiadiazol-3-yl)-3,4-dihydro-1H-isoquinoline
| Molecular Formula | C17H15N3O2S2 |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 2.8745 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.06058 |
| Heavy Atoms | 24 |
| Complexity | 940.9866 |
Chemical Identifiers
| CAS Number | 7063-05-0 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C3=NSN=C3)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole (CAS 7063-05-0), with molecular formula C17H15N3O2S2 and molecular weight 357.06 g/mol. IUPAC: 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole.
Chemical Property Profile of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole
Property Insights of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole
The XLogP value of 2.8745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole. Following Lipinski's Rule of Five, 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole?
The CAS number of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole is 7063-05-0.
What is the molecular formula of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole?
The molecular formula of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole is C17H15N3O2S2.
What is the molecular weight of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole?
The molecular weight of 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole is 357.06 g/mol.
Where can I buy 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole?
You can request a quote for 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.