3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride
TL;DR: 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride (CAS 134378-93-1) is a chemical compound with molecular formula C18H23ClN2O2 and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one;hydrochloride
Also Known As: MS 322, 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride, 1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one;hydrochloride, (R)-(+)-3-Phenyl-5-[2-(pyrrolidinomethyl)butyryl]isoxazole hydrochloride, 3-Phenyl-5-{2-(1-pyrrolidinylmethyl)butyryl} isoxazole hydrochloride
| Molecular Formula | C18H23ClN2O2 |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 4.0681 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1448 |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 134378-93-1 |
|---|---|
| SMILES | CCC(CN1CCCC1)C(=O)C2=CC(=NO2)C3=CC=CC=C3.Cl |
| InChIKey | DGJPRBXSVZULQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride (CAS 134378-93-1), with molecular formula C18H23ClN2O2 and molecular weight 334.14 g/mol. IUPAC: 1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one;hydrochloride.
Chemical Property Profile of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride
Property Insights of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride
The XLogP value of 4.0681 indicates that 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride 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 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride?
The CAS number of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride is 134378-93-1.
What is the molecular formula of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride?
The molecular formula of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride is C18H23ClN2O2.
What is the molecular weight of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride?
The molecular weight of 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride is 334.14 g/mol.
Where can I buy 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride?
You can request a quote for 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-(2-(1-pyrrolidinylmethyl)butyryl)isoxazole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.