![7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione structure](/static/products/7142/714245-03-1.webp)
7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 714245-03-1) is a chemical compound with molecular formula C25H26N8O2S and molecular weight 502.19 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]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F1342-0072, 7-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 7-(2-benzimidazol-2-ylthioethyl)-3-methyl-8-(4-phenylpiperazinyl)-1,3,7-trihyd ropurine-2,6-dione
| Molecular Formula | C25H26N8O2S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 2.4185 |
| Topological Polar Surface Area | 107.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.18994 |
| Heavy Atoms | 36 |
| Complexity | 1610.9819 |
Chemical Identifiers
| CAS Number | 714245-03-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6N5 |
Product Overview
7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 714245-03-1), with molecular formula C25H26N8O2S and molecular weight 502.19 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.4185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-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)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-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)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 714245-03-1.
What is the molecular formula of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C25H26N8O2S.
What is the molecular weight of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 502.19 g/mol.
Where can I buy 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-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)-3-methyl-8-(4-phenylpiperazin-1-yl)-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)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.