2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CAS 7063-04-9) is a chemical compound with molecular formula C17H14ClN3O2S2 and molecular weight 391.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole
Also Known As: 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline, 2-(4-chlorophenyl)sulfonyl-1-(1,2,5-thiadiazol-3-yl)-3,4-dihydro-1H-isoquinoline, 3-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole
| Molecular Formula | C17H14ClN3O2S2 |
|---|---|
| Molecular Weight | 391.02 g/mol |
| LogP | 3.5279 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.0216 |
| Heavy Atoms | 25 |
| Complexity | 988.99713 |
Chemical Identifiers
| CAS Number | 7063-04-9 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C3=NSN=C3)S(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CAS 7063-04-9), with molecular formula C17H14ClN3O2S2 and molecular weight 391.02 g/mol. IUPAC: 3-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1,2,5-thiadiazole.
Chemical Property Profile of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.5279 indicates that 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline 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 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is 7063-04-9.
What is the molecular formula of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is C17H14ClN3O2S2.
What is the molecular weight of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is 391.02 g/mol.
Where can I buy 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorobenzene-1-sulfonyl)-1-(1,2,5-thiadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.