![3-Methylbenzo[d]isoxazol-6-amine structure](/static/products/157/157640-14-7.webp)
3-Methylbenzo[d]isoxazol-6-amine
TL;DR: 3-Methylbenzo[d]isoxazol-6-amine (CAS 157640-14-7) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,2-benzoxazol-6-amine
Also Known As: 3-methylbenzo[d]isoxazol-6-amine, 3-methyl-1,2-benzoxazol-6-amine, 1,2-Benzisoxazol-6-amine,3-methyl-(9CI), 3-Methylbenzo[d]isoxazole-6-amine, 1,2-Benzisoxazol-6-amine, 3-methyl-
Technical Specifications
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.06366 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.06366 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| SMILES | CC1=NOC2=C1C=CC(=C2)N |
| InChIKey | FSBVLJLZOALRFV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylbenzo[d]isoxazol-6-amine
Property Insights of 3-Methylbenzo[d]isoxazol-6-amine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzo[d]isoxazol-6-amine. With a topological polar surface area (TPSA) of 52.1 Ų, 3-Methylbenzo[d]isoxazol-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzo[d]isoxazol-6-amine 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
What is the CAS number of 3-Methylbenzo[d]isoxazol-6-amine?
The CAS number of 3-Methylbenzo[d]isoxazol-6-amine is 157640-14-7.
What is the molecular formula of 3-Methylbenzo[d]isoxazol-6-amine?
The molecular formula of 3-Methylbenzo[d]isoxazol-6-amine is C8H8N2O.
What is the molecular weight of 3-Methylbenzo[d]isoxazol-6-amine?
The molecular weight of 3-Methylbenzo[d]isoxazol-6-amine is 148.06366 g/mol.
Where can I buy 3-Methylbenzo[d]isoxazol-6-amine?
You can request a quote for 3-Methylbenzo[d]isoxazol-6-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylbenzo[d]isoxazol-6-amine?
Yes, CoreyChem provides custom synthesis services for 3-Methylbenzo[d]isoxazol-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.