3-Amino-5-methylisoxazole
TL;DR: 3-Amino-5-methylisoxazole (CAS 1072-67-9) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2-oxazol-3-amine
Also Known As: 3-Amino-5-methylisoxazole, 5-methylisoxazol-3-amine, 5-Methyl-3-isoxazolamine, 5-methyl-1,2-oxazol-3-amine, 3-Isoxazolamine, 5-methyl-
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 1072-67-9 |
|---|---|
| SMILES | CC1=CC(=NO1)N |
| InChIKey | FKPXGNGUVSHWQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-5-methylisoxazole (CAS 1072-67-9), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: 5-methyl-1,2-oxazol-3-amine.
Chemical Property Profile of 3-Amino-5-methylisoxazole
Property Insights of 3-Amino-5-methylisoxazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-methylisoxazole. With a topological polar surface area (TPSA) of 52.1 Ų, 3-Amino-5-methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-methylisoxazole 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-Amino-5-methylisoxazole?
The CAS number of 3-Amino-5-methylisoxazole is 1072-67-9.
What is the molecular formula of 3-Amino-5-methylisoxazole?
The molecular formula of 3-Amino-5-methylisoxazole is C4H6N2O.
What is the molecular weight of 3-Amino-5-methylisoxazole?
The molecular weight of 3-Amino-5-methylisoxazole is 98.05 g/mol.
Where can I buy 3-Amino-5-methylisoxazole?
You can request a quote for 3-Amino-5-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.