Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)
TL;DR: Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) (CAS 971-71-1) is a chemical compound with molecular formula C16H26N2O8 and molecular weight 374.17 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-(5-methyl-1,2-oxazol-3-yl)ethyl]azanium
Also Known As: 3-(2-(Diethylamino)ethyl)-5-methylisoxazole citrate, ISOXAZOLE, 3-(2-(DIETHYLAMINO)ETHYL)-5-METHYL-, CITRATE (1:1), Isoxazole, 3-[2-(diethylamino)ethyl]-5-methyl-, citrate (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]azanium, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]azanium
| Molecular Formula | C16H26N2O8 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | -2.13 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.1689 |
| Heavy Atoms | 26 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 971-71-1 |
|---|---|
| SMILES | CC[NH+](CC)CCC1=NOC(=C1)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | VCXGQCILUVIUMB-UHFFFAOYSA-N |
Product Overview
Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) (CAS 971-71-1), with molecular formula C16H26N2O8 and molecular weight 374.17 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]azanium.
Chemical Property Profile of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)
Property Insights of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)
The XLogP value of -2.13 indicates that Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, 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, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, 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, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)?
The CAS number of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) is 971-71-1.
What is the molecular formula of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)?
The molecular formula of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) is C16H26N2O8.
What is the molecular weight of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)?
The molecular weight of Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) is 374.17 g/mol.
Where can I buy Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)?
You can request a quote for Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, 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, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-(2-(diethylamino)ethyl)-5-methyl-, citrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.