Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride
TL;DR: Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride (CAS 5243-94-7) is a chemical compound with molecular formula C16H20Cl2N2O and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride
Also Known As: 3-(p-Chlorophenyl)-5-(2-piperidinoethyl)isoxazole hydrochloride, ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(2-PIPERIDINOETHYL)-, HYDROCHLORIDE, 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride, Piperidine, 1-[2-[3-(p-chlorophenyl)-5-isoxazolyl]ethyl]-, monohydrochloride, RefChem:350209
| Molecular Formula | C16H20Cl2N2O |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | -0.39 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09528 |
| Heavy Atoms | 21 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 5243-94-7 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCC2=CC(=NO2)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | MTQYKNDRCDUTEC-UHFFFAOYSA-N |
Product Overview
Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride (CAS 5243-94-7), with molecular formula C16H20Cl2N2O and molecular weight 326.10 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride.
Chemical Property Profile of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride
Property Insights of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride
The XLogP value of -0.39 indicates that Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.5 Ų, Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride 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 Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride?
The CAS number of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride is 5243-94-7.
What is the molecular formula of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride?
The molecular formula of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride is C16H20Cl2N2O.
What is the molecular weight of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride?
The molecular weight of Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride is 326.10 g/mol.
Where can I buy Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride?
You can request a quote for Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.