3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine
TL;DR: 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine (CAS 794566-80-6) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-1,2-oxazol-5-amine
Also Known As: 3-(4-tert-butylphenyl)-1,2-oxazol-5-amine, 3-(4-(Tert-butyl)phenyl)isoxazol-5-amine, 5-Amino-3-[4-(tert-butyl)phenyl]isoxazole, 3-(4-tert-butylphenyl)isoxazol-5-amine, 3-[4-(1,1-Dimethylethyl)phenyl]-5-isoxazolamine
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 3.2213 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 477.37885 |
Chemical Identifiers
| CAS Number | 794566-80-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NOC(=C2)N |
Product Overview
3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine (CAS 794566-80-6), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 3-(4-tert-butylphenyl)-1,2-oxazol-5-amine.
Chemical Property Profile of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine
Property Insights of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine
The XLogP value of 3.2213 indicates that 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.05 Ų, 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine has 1 hydrogen bond donor(s) and 3 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-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine?
The CAS number of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine is 794566-80-6.
What is the molecular formula of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine?
The molecular formula of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine is C13H16N2O.
What is the molecular weight of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine?
The molecular weight of 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine is 216.13 g/mol.
Where can I buy 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine?
You can request a quote for 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(1,1-Dimethylethyl)phenyl)-5-isoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.