Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride
TL;DR: Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride (CAS 3920-08-9) is a chemical compound with molecular formula C14H19ClN2OS and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
Also Known As: 2-((2-Piperidinoethyl)thio)benzoxazole hydrochloride, 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride, BENZOXAZOLE, 2-((2-PIPERIDINOETHYL)THIO)-, HYDROCHLORIDE, RefChem:328247
| Molecular Formula | C14H19ClN2OS |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | -1.01 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09067 |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 3920-08-9 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3O2.[Cl-] |
| InChIKey | LKXFDHCLUCDKRA-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride (CAS 3920-08-9), with molecular formula C14H19ClN2OS and molecular weight 298.09 g/mol. IUPAC: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride.
Chemical Property Profile of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride
Property Insights of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride
The XLogP value of -1.01 indicates that Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride has 1 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 Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride?
The CAS number of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride is 3920-08-9.
What is the molecular formula of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride?
The molecular formula of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride is C14H19ClN2OS.
What is the molecular weight of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride?
The molecular weight of Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride is 298.09 g/mol.
Where can I buy Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride?
You can request a quote for Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-((2-piperidinoethyl)thio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.