Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate
TL;DR: Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate (CAS 94868-65-2) is a chemical compound with molecular formula C20H28N6O9 and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate
Also Known As: 2-(Diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methylbutyramide picrate, BUTYRAMIDE, 2-(DIETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-3-METHYL-, PICRATE, [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate, [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium; 2,4,6-trinitrophenolate, 2-(Diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methylbutyramide picrate, BUTYRAMIDE, 2-(DIETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-3-METHYL-, PICRATE, 94868-65-2, AC1L1LQV, LS-47613, [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium; 2,4,6-trinitrophenolate, 1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-N,N-diethyl-3-methyl-1-oxobutan-2-aminium 2,4,6-trinitrophenolate
| Molecular Formula | C20H28N6O9 |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 1.66 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.19177 |
| Heavy Atoms | 35 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 94868-65-2 |
|---|---|
| SMILES | CC[NH+](CC)C(C(C)C)C(=O)NC1=C(C(=NO1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XBDDXHMQIGEHNU-UHFFFAOYSA-N |
Product Overview
Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate (CAS 94868-65-2), with molecular formula C20H28N6O9 and molecular weight 496.19 g/mol. IUPAC: [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate
Property Insights of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate
The XLogP value of 1.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate. The TPSA of 220.0 Ų indicates high polarity, suggesting Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, 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 Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate?
The CAS number of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate is 94868-65-2.
What is the molecular formula of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate?
The molecular formula of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate is C20H28N6O9.
What is the molecular weight of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate?
The molecular weight of Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate is 496.19 g/mol.
Where can I buy Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate?
You can request a quote for Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate?
Yes, KEHONG BIO provides custom synthesis services for Butyramide, 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.