3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one
TL;DR: 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one (CAS 82189-26-2) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one
Also Known As: 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one, 3-amino-2-(p-tolylsulfonyl)-4-sec-butyl-isoxazol-5-one, 5(2H)-Isoxazolone,3-amino-2-[(4-methylphenyl)sulfonyl]-4-(1-methylpropyl)-, 3-amino-4-(butan-2-yl)-2-[(4-methylphenyl)sulfonyl]-1,2-oxazol-5(2h)-one, 3-amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 82189-26-2 |
|---|---|
| SMILES | CCC(C)C1=C(N(OC1=O)S(=O)(=O)C2=CC=C(C=C2)C)N |
| InChIKey | JIIAFFKUKJAABZ-UHFFFAOYSA-N |
Product Overview
3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one (CAS 82189-26-2), with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol. IUPAC: 3-amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one.
Chemical Property Profile of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one
Property Insights of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one
The XLogP value of 3.2 indicates that 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one. Following Lipinski's Rule of Five, 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one has 1 hydrogen bond donor(s) and 6 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)-2-tosylisoxazol-5(2H)-one?
The CAS number of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one is 82189-26-2.
What is the molecular formula of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one?
The molecular formula of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one is C14H18N2O4S.
What is the molecular weight of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one?
The molecular weight of 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one is 310.10 g/mol.
Where can I buy 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one?
You can request a quote for 3-Amino-4-(sec-butyl)-2-tosylisoxazol-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)-2-tosylisoxazol-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(sec-butyl)-2-tosylisoxazol-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.