4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride
TL;DR: 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 17583-76-5) is a chemical compound with molecular formula C10H12ClN3O2 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine chloride
Also Known As: 3-beta-Phenoxyethylsydnonimine hydrochloride, Sydnone imine, 3-(2-phenoxyethyl)-, hydrochloride, 3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine chloride, 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride, RefChem:1070254
| Molecular Formula | C10H12ClN3O2 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | -2.3727 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.0618 |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 17583-76-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC[N+]2=NOC=C2N.[Cl-] |
| InChIKey | XMWADLOPEMJBTP-UHFFFAOYSA-M |
Product Overview
4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 17583-76-5), with molecular formula C10H12ClN3O2 and molecular weight 241.06 g/mol. IUPAC: 3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine chloride.
Chemical Property Profile of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride
Property Insights of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride
The XLogP value of -2.3727 indicates that 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride. Following Lipinski's Rule of Five, 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride has 1 hydrogen bond donor(s) and 5 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 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride?
The CAS number of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride is 17583-76-5.
What is the molecular formula of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular formula of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride is C10H12ClN3O2.
What is the molecular weight of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular weight of 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride is 241.06 g/mol.
Where can I buy 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride?
You can request a quote for 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(2-phenoxyethyl)-3H-1,2,3-oxadiazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.