![7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6734/673454-23-4.webp)
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 673454-23-4) is a chemical compound with molecular formula C24H22N6O2S2 and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione
Also Known As: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydroisoquinolin-2(1H)-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(2-benzothiazol-2-ylthioethyl)-3-methyl-8-(2-1,2,3,4-tetrahydroisoquinolyl)- 1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C24H22N6O2S2 |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.12457 |
| Heavy Atoms | 34 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 673454-23-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=NC6=CC=CC=C6S5 |
| InChIKey | ZVGNZVHJGYNIFC-UHFFFAOYSA-N |
Product Overview
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 673454-23-4), with molecular formula C24H22N6O2S2 and molecular weight 490.12 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 4.3 indicates that 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 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
Frequently Asked Questions
What is the CAS number of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 673454-23-4.
What is the molecular formula of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C24H22N6O2S2.
What is the molecular weight of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 490.12 g/mol.
Where can I buy 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.