7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione
TL;DR: 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione (CAS 313470-60-9) is a chemical compound with molecular formula C14H11BrN6O2 and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione
Also Known As: BAS 00387102, 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione, 7-((1H-benzo[d]imidazol-2-yl)methyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(1H-Benzoimidazol-2-ylmethyl)-8-bromo-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C14H11BrN6O2 |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 1.1104 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.0127 |
| Heavy Atoms | 23 |
| Complexity | 1132.6458 |
Chemical Identifiers
| CAS Number | 313470-60-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=NC4=CC=CC=C4N3 |
Product Overview
7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione (CAS 313470-60-9), with molecular formula C14H11BrN6O2 and molecular weight 374.01 g/mol. IUPAC: 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione
Property Insights of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione
The XLogP value of 1.1104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione has 2 hydrogen bond donor(s) and 4 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-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione?
The CAS number of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione is 313470-60-9.
What is the molecular formula of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione?
The molecular formula of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione is C14H11BrN6O2.
What is the molecular weight of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione?
The molecular weight of 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione is 374.01 g/mol.
Where can I buy 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione?
You can request a quote for 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-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-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(1H-benzimidazol-2-ylmethyl)-8-bromo-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.