![2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole structure](/static/products/797/79713-74-9.png)
2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole
TL;DR: 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole (CAS 79713-74-9) is a chemical compound with molecular formula C15H13BrN2S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole
Also Known As: 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole, 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole, AE-848/13912053, 2-[(4-bromobenzyl)thio]-5-methyl-1H-benzimidazole, 2-[(4-Bromophenyl)methylthio]-6-methylbenzimidazole
| Molecular Formula | C15H13BrN2S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.9983 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 79713-74-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)Br |
| InChIKey | RRZOLQBQTZWHJF-UHFFFAOYSA-N |
Product Overview
2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole (CAS 79713-74-9), with molecular formula C15H13BrN2S and molecular weight 332.00 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-6-methyl-1H-benzimidazole.
Chemical Property Profile of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole
Property Insights of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole
The XLogP value of 4.9 indicates that 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 2 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 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole?
The CAS number of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole is 79713-74-9.
What is the molecular formula of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole?
The molecular formula of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole is C15H13BrN2S.
What is the molecular weight of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole?
The molecular weight of 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole is 332.00 g/mol.
Where can I buy 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole?
You can request a quote for 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromobenzyl)sulfanyl]-5-methyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.