![7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/7142/714283-46-2.webp)
7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714283-46-2) is a chemical compound with molecular formula C15H13BrN6O2S and molecular weight 420.00 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-bromo-3-methylpurine-2,6-dione
Also Known As: 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione, F1468-0010, 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione, 7-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]-8-bromo-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-benzimidazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dio ne
| Molecular Formula | C15H13BrN6O2S |
|---|---|
| Molecular Weight | 420.00 g/mol |
| LogP | 1.8544 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0004 |
| Heavy Atoms | 25 |
| Complexity | 1171.3889 |
Chemical Identifiers
| CAS Number | 714283-46-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4N3 |
Product Overview
7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714283-46-2), with molecular formula C15H13BrN6O2S and molecular weight 420.00 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-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-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 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 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione is 714283-46-2.
What is the molecular formula of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione is C15H13BrN6O2S.
What is the molecular weight of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione is 420.00 g/mol.
Where can I buy 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-8-bromo-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-bromo-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-bromo-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-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.