3-Methylisoxazole-4,5-diamine
TL;DR: 3-Methylisoxazole-4,5-diamine (CAS 524729-49-5) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-oxazole-4,5-diamine
Also Known As: 3-methylisoxazole-4,5-diamine, 3-methyl-1,2-oxazole-4,5-diamine, 3-Methyl-4,5-isoxazolediamine, 4,5-isoxazolediamine,3-methyl, 4,5-isoxazolediamine,3-methyl-
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 524729-49-5 |
|---|---|
| SMILES | CC1=NOC(=C1N)N |
| InChIKey | SHIVHMANNZELCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylisoxazole-4,5-diamine (CAS 524729-49-5), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 3-methyl-1,2-oxazole-4,5-diamine.
Chemical Property Profile of 3-Methylisoxazole-4,5-diamine
Property Insights of 3-Methylisoxazole-4,5-diamine
The XLogP value of -0.3 indicates that 3-Methylisoxazole-4,5-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylisoxazole-4,5-diamine. Following Lipinski's Rule of Five, 3-Methylisoxazole-4,5-diamine has 2 hydrogen bond donor(s) and 4 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-Methylisoxazole-4,5-diamine?
The CAS number of 3-Methylisoxazole-4,5-diamine is 524729-49-5.
What is the molecular formula of 3-Methylisoxazole-4,5-diamine?
The molecular formula of 3-Methylisoxazole-4,5-diamine is C4H7N3O.
What is the molecular weight of 3-Methylisoxazole-4,5-diamine?
The molecular weight of 3-Methylisoxazole-4,5-diamine is 113.06 g/mol.
Where can I buy 3-Methylisoxazole-4,5-diamine?
You can request a quote for 3-Methylisoxazole-4,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylisoxazole-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylisoxazole-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.