7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione
TL;DR: 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione (CAS 674294-97-4) is a chemical compound with molecular formula C25H24N6O2S2 and molecular weight 504.14 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)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-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)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C25H24N6O2S2 |
|---|---|
| Molecular Weight | 504.14 g/mol |
| LogP | 3.3984 |
| Topological Polar Surface Area | 77.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.14023 |
| Heavy Atoms | 35 |
| Complexity | 1663.2422 |
Chemical Identifiers
| CAS Number | 674294-97-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=NC6=CC=CC=C6S5 |
Product Overview
7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione (CAS 674294-97-4), with molecular formula C25H24N6O2S2 and molecular weight 504.14 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione
Property Insights of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione
The XLogP value of 3.3984 indicates that 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione?
The CAS number of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione is 674294-97-4.
What is the molecular formula of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione is C25H24N6O2S2.
What is the molecular weight of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione is 504.14 g/mol.
Where can I buy 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-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-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-benzothiazol-2-ylthioethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinol yl)-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.