3-Methyl-1,2-benzoxazole
TL;DR: 3-Methyl-1,2-benzoxazole (CAS 1189967-37-0) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,2-benzoxazole
Also Known As: 3-Methylbenzo[d]isoxazole, 3-Methyl-1,2-benzisoxazole, 3-methyl-1,2-benzoxazole, 3-Methylindoxazene, 3-Methylindoxazene;
Technical Specifications
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.05276 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.05276 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| SMILES | CC1=NOC2=CC=CC=C12 |
| InChIKey | GAUKCDPSYQUYQL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-1,2-benzoxazole
Property Insights of 3-Methyl-1,2-benzoxazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2-benzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Methyl-1,2-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2-benzoxazole has 0 hydrogen bond donor(s) and 2 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-Methyl-1,2-benzoxazole?
The CAS number of 3-Methyl-1,2-benzoxazole is 1189967-37-0.
What is the molecular formula of 3-Methyl-1,2-benzoxazole?
The molecular formula of 3-Methyl-1,2-benzoxazole is C8H7NO.
What is the molecular weight of 3-Methyl-1,2-benzoxazole?
The molecular weight of 3-Methyl-1,2-benzoxazole is 133.05276 g/mol.
Where can I buy 3-Methyl-1,2-benzoxazole?
You can request a quote for 3-Methyl-1,2-benzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-1,2-benzoxazole?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-1,2-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.