4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole
TL;DR: 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole (CAS 170116-55-9) is a chemical compound with molecular formula C12H15BrN2S and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-2-methylsulfanyl-1-propylbenzimidazole
Also Known As: 4-bromomethyl-2-methylmercapto-1-propylbenzimidazole, 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole, 4-(bromomethyl)-2-methylsulfanyl-1-propylbenzimidazole, 4-(bromomethyl)-2-methylsulfanyl-1-propyl-benzimidazole, 1h-benzimidazole, 4-(bromomethyl)-2-(methylthio)-1-propyl-
| Molecular Formula | C12H15BrN2S |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.01392 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 170116-55-9 |
|---|---|
| SMILES | CCCN1C2=CC=CC(=C2N=C1SC)CBr |
| InChIKey | SFTSCCWZRVVIDY-UHFFFAOYSA-N |
Product Overview
4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole (CAS 170116-55-9), with molecular formula C12H15BrN2S and molecular weight 298.01 g/mol. IUPAC: 4-(bromomethyl)-2-methylsulfanyl-1-propylbenzimidazole.
Chemical Property Profile of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole
Property Insights of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole
The XLogP value of 3.7 indicates that 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole has 0 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 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole?
The CAS number of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole is 170116-55-9.
What is the molecular formula of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole?
The molecular formula of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole is C12H15BrN2S.
What is the molecular weight of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole?
The molecular weight of 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole is 298.01 g/mol.
Where can I buy 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole?
You can request a quote for 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)-2-methylthio-1-propylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.