Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate
TL;DR: Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate (CAS 14908-97-5) is a chemical compound with molecular formula C20H27N3O8 and molecular weight 437.18 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-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium
Also Known As: 3-(3-Pyridyl)-5-(2-(diethylamino)ethyl)-isoxazole citrate, ISOXAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-(3-PYRIDYL)-, CITRATE, Pyridine, 3-[5-[2-(diethylamino)ethyl]-3-isoxazolyl]-, citrate (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium, N,N-Diethyl-2-[3-(pyridin-3-yl)-1,2-oxazol-5-yl]ethan-1-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
| Molecular Formula | C20H27N3O8 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | -1.38 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.1798 |
| Heavy Atoms | 31 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 14908-97-5 |
|---|---|
| SMILES | CC[NH+](CC)CCC1=CC(=NO1)C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | ITQLLNUKISHZLN-UHFFFAOYSA-N |
Product Overview
Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate (CAS 14908-97-5), with molecular formula C20H27N3O8 and molecular weight 437.18 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium.
Chemical Property Profile of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate
Property Insights of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate
The XLogP value of -1.38 indicates that Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate has 4 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)ethyl)-3-(3-pyridyl)-, citrate?
The CAS number of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate is 14908-97-5.
What is the molecular formula of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate?
The molecular formula of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate is C20H27N3O8.
What is the molecular weight of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate?
The molecular weight of Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate is 437.18 g/mol.
Where can I buy Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate?
You can request a quote for Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate 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-(3-pyridyl)-, citrate?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-(2-(diethylamino)ethyl)-3-(3-pyridyl)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.