3-Amino-4-(sec-butyl)isoxazol-5(2H)-one
TL;DR: 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one (CAS 6972-95-8) is a chemical compound with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-butan-2-yl-2H-1,2-oxazol-5-one
Also Known As: NCIOpen2_000043, 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one, 3-amino-4-(butan-2-yl)-1,2-oxazol-5(2h)-one, 3-amino-4-butan-2-yl-2H-1,2-oxazol-5-one, 5(2H)-ISOXAZOLONE, 3-AMINO-4-(1-METHYLPROPYL)-
| Molecular Formula | C7H12N2O2 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.08987 |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 6972-95-8 |
|---|---|
| SMILES | CCC(C)C1=C(NOC1=O)N |
| InChIKey | NJEWGJAOFWGSPY-UHFFFAOYSA-N |
Product Overview
3-Amino-4-(sec-butyl)isoxazol-5(2H)-one (CAS 6972-95-8), with molecular formula C7H12N2O2 and molecular weight 156.09 g/mol. IUPAC: 3-amino-4-butan-2-yl-2H-1,2-oxazol-5-one.
Chemical Property Profile of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one
Property Insights of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one. Following Lipinski's Rule of Five, 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one has 2 hydrogen bond donor(s) and 4 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-Amino-4-(sec-butyl)isoxazol-5(2H)-one?
The CAS number of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one is 6972-95-8.
What is the molecular formula of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one?
The molecular formula of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one is C7H12N2O2.
What is the molecular weight of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one?
The molecular weight of 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one is 156.09 g/mol.
Where can I buy 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one?
You can request a quote for 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(sec-butyl)isoxazol-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.