1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
TL;DR: 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride (CAS 58598-98-4) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride
Also Known As: AF 520, 5-(2-(Dimethylamino)ethyl)-3-phenyl-1,2,4-oxadiazole hydrochloride, 1,2,4-OXADIAZOLE, 5-(2-(DIMETHYLAMINO)ETHYL)-3-PHENYL-, HYDROCHLORIDE, dimethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride
| Molecular Formula | C12H16ClN3O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | -2.57 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.09819 |
| Heavy Atoms | 17 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 58598-98-4 |
|---|---|
| SMILES | C[NH+](C)CCC1=NC(=NO1)C2=CC=CC=C2.[Cl-] |
| InChIKey | FAXULPKCZXJSBT-UHFFFAOYSA-N |
Product Overview
1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride (CAS 58598-98-4), with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol. IUPAC: dimethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride.
Chemical Property Profile of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
Property Insights of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
The XLogP value of -2.57 indicates that 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-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 43.4 Ų, 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, 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 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride?
The CAS number of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride is 58598-98-4.
What is the molecular formula of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride?
The molecular formula of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride is C12H16ClN3O.
What is the molecular weight of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride?
The molecular weight of 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride is 253.10 g/mol.
Where can I buy 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride?
You can request a quote for 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-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 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazole, 5-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.