2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
TL;DR: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone (CAS 56072-96-9) is a chemical compound with molecular formula C15H19N3OS and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: BAS 00572174, BIM-0032416.P001, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone, AB00089472-01, 2-benzimidazol-2-ylthio-1-(4-methylpiperidyl)ethan-1-one
| Molecular Formula | C15H19N3OS |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.12488 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 56072-96-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2 |
| InChIKey | DLBLZDXRCLOKSG-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone (CAS 56072-96-9), with molecular formula C15H19N3OS and molecular weight 289.12 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
Property Insights of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
The XLogP value of 3.1 indicates that 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone 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-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The CAS number of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is 56072-96-9.
What is the molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is C15H19N3OS.
What is the molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is 289.12 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
You can request a quote for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.