Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride
TL;DR: Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride (CAS 1090-85-3) is a chemical compound with molecular formula C17H23ClN2O and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride
Also Known As: 3-Phenyl-5-(3-piperidinopropyl)isoxazole hydrochloride, ISOXAZOLE, 3-PHENYL-5-(3-PIPERIDINOPROPYL)-, HYDROCHLORIDE, 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride, 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole, Piperidine, 1-[3-(3-phenyl-5-isoxazolyl)propyl]-, monohydrochloride
| Molecular Formula | C17H23ClN2O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | -0.65 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.1499 |
| Heavy Atoms | 21 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 1090-85-3 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCCC2=CC(=NO2)C3=CC=CC=C3.[Cl-] |
| InChIKey | MLRHTHUQODBLDB-UHFFFAOYSA-N |
Product Overview
Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride (CAS 1090-85-3), with molecular formula C17H23ClN2O and molecular weight 306.15 g/mol. IUPAC: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride.
Chemical Property Profile of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride
Property Insights of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride
The XLogP value of -0.65 indicates that Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, 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-phenyl-5-(3-piperidinopropyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, 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-phenyl-5-(3-piperidinopropyl)-, hydrochloride?
The CAS number of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride is 1090-85-3.
What is the molecular formula of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride?
The molecular formula of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride is C17H23ClN2O.
What is the molecular weight of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride?
The molecular weight of Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride is 306.15 g/mol.
Where can I buy Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride?
You can request a quote for Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, 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-phenyl-5-(3-piperidinopropyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.