2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
TL;DR: 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole (CAS 37844-38-5) is a chemical compound with molecular formula C14H19N3S and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
Also Known As: BAS 01052439, 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole, 1-[2-(benzimidazol-2-ylthio)ethyl]piperadine, 2-{[2-(1-piperidinyl)ethyl]sulfanyl}-1H-benzimidazole, AE-641/30409055
| Molecular Formula | C14H19N3S |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.12997 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 37844-38-5 |
|---|---|
| SMILES | C1CCN(CC1)CCSC2=NC3=CC=CC=C3N2 |
| InChIKey | ZPVBJQVKTROHQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole (CAS 37844-38-5), with molecular formula C14H19N3S and molecular weight 261.13 g/mol. IUPAC: 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole.
Chemical Property Profile of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
Property Insights of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
The XLogP value of 3.0 indicates that 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 3 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-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole?
The CAS number of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole is 37844-38-5.
What is the molecular formula of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole?
The molecular formula of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole is C14H19N3S.
What is the molecular weight of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole?
The molecular weight of 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole is 261.13 g/mol.
Where can I buy 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole?
You can request a quote for 2-(2-piperidin-1-ylethylsulfanyl)-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-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.