Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride
TL;DR: Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride (CAS 5500-11-8) is a chemical compound with molecular formula C15H18Cl2N2O and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
Also Known As: 3-(p-Chlorophenyl)-5-(piperidinomethyl)isoxazole hydrochloride, 3-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride, ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(PIPERIDINOMETHYL)-, HYDROCHLORIDE, RefChem:350211
| Molecular Formula | C15H18Cl2N2O |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | -0.43 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07962 |
| Heavy Atoms | 20 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5500-11-8 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | QBJARSHSMWQTGG-UHFFFAOYSA-N |
Product Overview
Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride (CAS 5500-11-8), with molecular formula C15H18Cl2N2O and molecular weight 312.08 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride.
Chemical Property Profile of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride
Property Insights of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride
The XLogP value of -0.43 indicates that Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, 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-(piperidinomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, 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-(piperidinomethyl)-, hydrochloride?
The CAS number of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride is 5500-11-8.
What is the molecular formula of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride?
The molecular formula of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride is C15H18Cl2N2O.
What is the molecular weight of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride?
The molecular weight of Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride is 312.08 g/mol.
Where can I buy Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride?
You can request a quote for Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, 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-(piperidinomethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.