5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride
TL;DR: 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride (CAS 7041-77-2) is a chemical compound with molecular formula C14H19ClN2O2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-3-(3-phenyl-1,2-oxazol-5-yl)propyl]-dimethylazanium chloride
Also Known As: 3-Phenyl-5-(1-hydroxy-3-dimethylaminopropyl)isoxazole hydrochloride, 5-ISOXAZOLEMETHANOL, alpha-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, MONOHYDROCHLORIDE, Isoxazole, 5-(3-dimethylamino-1-hydroxypropyl)-3-phenyl-, hydrochloride, [3-hydroxy-3-(3-phenyl-1,2-oxazol-5-yl)propyl]-dimethylazanium chloride, 5-Isoxazolemethanol, .alpha.-[2-(dimethylamino)ethyl]-3-phenyl-, monohydrochloride
| Molecular Formula | C14H19ClN2O2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | -2.09 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.1135 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 7041-77-2 |
|---|---|
| SMILES | C[NH+](C)CCC(C1=CC(=NO1)C2=CC=CC=C2)O.[Cl-] |
| InChIKey | IZAHSHCAKIINTB-UHFFFAOYSA-N |
Product Overview
5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride (CAS 7041-77-2), with molecular formula C14H19ClN2O2 and molecular weight 282.11 g/mol. IUPAC: [3-hydroxy-3-(3-phenyl-1,2-oxazol-5-yl)propyl]-dimethylazanium chloride.
Chemical Property Profile of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride
Property Insights of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride
The XLogP value of -2.09 indicates that 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.7 Ų, 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride has 2 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 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride?
The CAS number of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride is 7041-77-2.
What is the molecular formula of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride?
The molecular formula of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride is C14H19ClN2O2.
What is the molecular weight of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride?
The molecular weight of 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride is 282.11 g/mol.
Where can I buy 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride?
You can request a quote for 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoxazolemethanol, alpha-(2-(dimethylamino)ethyl)-3-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.