![7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/4764/476482-41-4.webp)
7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 476482-41-4) is a chemical compound with molecular formula C26H28N8O2S and molecular weight 516.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-3-methylpurine-2,6-dione
Also Known As: 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHYL]-8-(4-BENZYL-1-PIPERAZINYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 648-540-1, 7-(2-(1H-Benzimidazol-2-ylsulfanyl)ethyl)-8-(4-benzyl-1-piperazinyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C26H28N8O2S |
|---|---|
| Molecular Weight | 516.21 g/mol |
| LogP | 2.4141 |
| Topological Polar Surface Area | 107.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.20557 |
| Heavy Atoms | 37 |
| Complexity | 1628.299 |
Chemical Identifiers
| CAS Number | 476482-41-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5 |
Product Overview
7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 476482-41-4), with molecular formula C26H28N8O2S and molecular weight 516.21 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.4141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 107.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 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-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 476482-41-4.
What is the molecular formula of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C26H28N8O2S.
What is the molecular weight of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 516.21 g/mol.
Where can I buy 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-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-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.