Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride
TL;DR: Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride (CAS 1087-04-3) is a chemical compound with molecular formula C15H19ClN2O and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole chloride
Also Known As: Isoxazole, 5-(2-pyrrolidinoethyl)-3-phenyl-, hydrochloride, 3-Phenyl-5-(2-pyrrolidinoethyl)isoxazole hydrochloride, ISOXAZOLE, 5-(2-PYRROLIDINYLETHYL)-3-PHENYL-, HYDROCHLORIDE, 3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole chloride, Isoxazole, 3-phenyl-5-[2-(1-pyrrolidinyl)ethyl]-, monohydrochloride
| Molecular Formula | C15H19ClN2O |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | -1.43 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1186 |
| Heavy Atoms | 19 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 1087-04-3 |
|---|---|
| SMILES | C1CC[NH+](C1)CCC2=CC(=NO2)C3=CC=CC=C3.[Cl-] |
| InChIKey | NVZVMBPYLBWVBZ-UHFFFAOYSA-N |
Product Overview
Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride (CAS 1087-04-3), with molecular formula C15H19ClN2O and molecular weight 278.12 g/mol. IUPAC: 3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole chloride.
Chemical Property Profile of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride
Property Insights of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride
The XLogP value of -1.43 indicates that Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, 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, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, 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, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride?
The CAS number of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride is 1087-04-3.
What is the molecular formula of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride?
The molecular formula of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride is C15H19ClN2O.
What is the molecular weight of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride?
The molecular weight of Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride is 278.12 g/mol.
Where can I buy Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride?
You can request a quote for Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.