3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
TL;DR: 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine (CAS 82560-06-3) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine
Also Known As: 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine, 5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-, 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine, 3-(3-Methylpentan-3-yl)isoxazol-5-amine, 3-(3-Methyl-3-pentyl)isoxazol-5-amine
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 82560-06-3 |
|---|---|
| SMILES | CCC(C)(CC)C1=NOC(=C1)N |
| InChIKey | DFDAEJDUOXMUQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine (CAS 82560-06-3), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine.
Chemical Property Profile of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
Property Insights of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine. With a topological polar surface area (TPSA) of 52.1 Ų, 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Ethyl-1-methylpropyl)-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-(1-Ethyl-1-methylpropyl)-5-isoxazolamine?
The CAS number of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine is 82560-06-3.
What is the molecular formula of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine?
The molecular formula of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine is C9H16N2O.
What is the molecular weight of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine?
The molecular weight of 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine is 168.13 g/mol.
Where can I buy 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine?
You can request a quote for 3-(1-Ethyl-1-methylpropyl)-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-(1-Ethyl-1-methylpropyl)-5-isoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.