Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)
TL;DR: Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) (CAS 985-69-3) is a chemical compound with molecular formula C21H28N2O8 and molecular weight 436.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium
Also Known As: 3-Phenyl-5-(2-(diethylamino)ethyl)isoxazole citrate, ISOXAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-PHENYL, CITRATE (1:1), Isoxazole, 5-[2-(diethylamino)ethyl]-3-phenyl-, citrate (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium
| Molecular Formula | C21H28N2O8 |
|---|---|
| Molecular Weight | 436.18 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 436.18457 |
| Heavy Atoms | 31 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 985-69-3 |
|---|---|
| SMILES | CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | IONVJVZOGJBIOM-UHFFFAOYSA-N |
Product Overview
Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) (CAS 985-69-3), with molecular formula C21H28N2O8 and molecular weight 436.18 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium.
Chemical Property Profile of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)
Property Insights of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)
The XLogP value of -0.77 indicates that Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) has 4 hydrogen bond donor(s) and 9 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)ethyl)-3-phenyl, citrate (1:1)?
The CAS number of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) is 985-69-3.
What is the molecular formula of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)?
The molecular formula of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) is C21H28N2O8.
What is the molecular weight of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)?
The molecular weight of Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) is 436.18 g/mol.
Where can I buy Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)?
You can request a quote for Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) 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)ethyl)-3-phenyl, citrate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.