3-Isoxazolamine
TL;DR: 3-Isoxazolamine (CAS 4570-45-0) is a chemical compound with molecular formula C3H4N2O and molecular weight 84.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-oxazol-3-amine
Also Known As: 3-Aminoisoxazole, Isoxazol-3-amine, 1,2-oxazol-3-amine, 3-Isoxazolamine, Isoxazolamine
| Molecular Formula | C3H4N2O |
|---|---|
| Molecular Weight | 84.03 g/mol |
| LogP | 0.2568 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.032364 |
| Heavy Atoms | 6 |
| Complexity | 112.353615 |
Chemical Identifiers
| CAS Number | 4570-45-0 |
|---|---|
| SMILES | C1=CON=C1N |
Product Overview
3-Isoxazolamine (CAS 4570-45-0), with molecular formula C3H4N2O and molecular weight 84.03 g/mol. IUPAC: 1,2-oxazol-3-amine.
Chemical Property Profile of 3-Isoxazolamine
Property Insights of 3-Isoxazolamine
The XLogP value of 0.2568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolamine. With a topological polar surface area (TPSA) of 52.05 Ų, 3-Isoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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-Isoxazolamine?
The CAS number of 3-Isoxazolamine is 4570-45-0.
What is the molecular formula of 3-Isoxazolamine?
The molecular formula of 3-Isoxazolamine is C3H4N2O.
What is the molecular weight of 3-Isoxazolamine?
The molecular weight of 3-Isoxazolamine is 84.03 g/mol.
Where can I buy 3-Isoxazolamine?
You can request a quote for 3-Isoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.