Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate
TL;DR: Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate (CAS 93438-34-7) is a chemical compound with molecular formula C17H28N6O9 and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-diethylazanium;2,4,6-trinitrocyclohexan-1-olate
Also Known As: 5-(2-(Diethylamino)acetamido)-3,4-dimethylisoxazole picrate, ISOXAZOLE, 5-(2-(DIETHYLAMINO)ACETAMIDO)-3,4-DIMETHYL-, PICRATE, [2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-diethylazanium; 2,4,6-trinitrocyclohexan-1-olate, RefChem:1087863
| Molecular Formula | C17H28N6O9 |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.19177 |
| Heavy Atoms | 32 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 93438-34-7 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)NC1=C(C(=NO1)C)C.C1C(CC(C(C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WNCZTMYJKJMUNN-UHFFFAOYSA-O |
Product Overview
Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate (CAS 93438-34-7), with molecular formula C17H28N6O9 and molecular weight 460.19 g/mol. IUPAC: [2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-diethylazanium;2,4,6-trinitrocyclohexan-1-olate.
Chemical Property Profile of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate
Property Insights of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate
The XLogP value of -1.4 indicates that Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate has 2 hydrogen bond donor(s) and 10 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-(diethylamino)acetamido)-3,4-dimethyl-, picrate?
The CAS number of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate is 93438-34-7.
What is the molecular formula of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate?
The molecular formula of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate is C17H28N6O9.
What is the molecular weight of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate?
The molecular weight of Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate is 460.19 g/mol.
Where can I buy Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate?
You can request a quote for Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate 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-(diethylamino)acetamido)-3,4-dimethyl-, picrate?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-(2-(diethylamino)acetamido)-3,4-dimethyl-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.