3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one
TL;DR: 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one (CAS 309922-30-3) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-nitroso-2H-1,2-oxazol-5-one
Also Known As: ChemDiv2_002350, 4,5-Isoxazoledione,3- -,4-oxime, 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one, 3-tert-butyl-4-nitroso-2H-1,2-oxazol-5-one, (4E)-3-tert-Butyl-4,5-isoxazoledione 4-oxime #
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 309922-30-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=O)ON1)N=O |
| InChIKey | VDVGSXJMJGWACQ-UHFFFAOYSA-N |
Product Overview
3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one (CAS 309922-30-3), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: 3-tert-butyl-4-nitroso-2H-1,2-oxazol-5-one.
Chemical Property Profile of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one
Property Insights of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one. Following Lipinski's Rule of Five, 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one has 1 hydrogen bond donor(s) and 5 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 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one?
The CAS number of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one is 309922-30-3.
What is the molecular formula of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one?
The molecular formula of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one is C7H10N2O3.
What is the molecular weight of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one?
The molecular weight of 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one is 170.07 g/mol.
Where can I buy 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one?
You can request a quote for 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butyl)-4-(hydroxyimino)isoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.