Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride
TL;DR: Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride (CAS 14823-27-9) is a chemical compound with molecular formula C14H18Cl2N2OS and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
Also Known As: 5-Chloro-2-((2-piperidinoethyl)thio)benzoxazole hydrochloride, BENZOXAZOLE, 5-CHLORO-2-((2-PIPERIDINOETHYL)THIO)-, MONOHYDROCHLORIDE, 5-Chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazolechloride, 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride, RefChem:328275
| Molecular Formula | C14H18Cl2N2OS |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | -0.35 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0517 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 14823-27-9 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCSC2=NC3=C(O2)C=CC(=C3)Cl.[Cl-] |
| InChIKey | HECCYONFFOJMBB-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride (CAS 14823-27-9), with molecular formula C14H18Cl2N2OS and molecular weight 332.05 g/mol. IUPAC: 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride.
Chemical Property Profile of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride
Property Insights of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride
The XLogP value of -0.35 indicates that Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride 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, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride 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, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride?
The CAS number of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride is 14823-27-9.
What is the molecular formula of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride?
The molecular formula of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride is C14H18Cl2N2OS.
What is the molecular weight of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride?
The molecular weight of Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride is 332.05 g/mol.
Where can I buy Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride?
You can request a quote for Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 5-chloro-2-((2-piperidinoethyl)thio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.