2-Methylbenzoxazole
TL;DR: 2-Methylbenzoxazole (CAS 95-21-6) 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.
2-methyl-1,3-benzoxazole
Also Known As: 2-Methylbenzoxazole, 2-Methylbenzo[d]oxazole, 2-Methyl-1,3-benzoxazole, 2-Methylbenzoxazol, 2-methyl-benzoxazole
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.05276 g/mol |
| XLogP | 2.2 |
| 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 |
| Melting Point | 9.5 °C |
| Density | 1.109-1.115 |
| Refractive Index | 1.544-1.550 |
| Solubility | Insoluble in water |
| SMILES | CC1=NC2=CC=CC=C2O1 |
| InChIKey | DQSHFKPKFISSNM-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbenzoxazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methylbenzoxazole (CAS 95-21-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2-Methylbenzoxazole (CAS 95-21-6) has the molecular formula C8H7NO and a molecular weight of 133.05 g/mol. Reported properties include a density of 1.109-1.115 g/cm³, a solubility: Insoluble in water. It is also known as 2-Methylbenzoxazole and 2-Methylbenzo[d]oxazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Methylbenzoxazole
Property Insights of 2-Methylbenzoxazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Methylbenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzoxazole 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 2-Methylbenzoxazole?
The CAS number of 2-Methylbenzoxazole is 95-21-6.
What is the molecular formula of 2-Methylbenzoxazole?
The molecular formula of 2-Methylbenzoxazole is C8H7NO.
What is the molecular weight of 2-Methylbenzoxazole?
The molecular weight of 2-Methylbenzoxazole is 133.05276 g/mol.
What are the applications of 2-Methylbenzoxazole?
2-Methylbenzoxazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methylbenzoxazole (CAS 95-21-6)...
Where can I buy 2-Methylbenzoxazole?
You can request a quote for 2-Methylbenzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbenzoxazole?
Yes, CoreyChem provides custom synthesis services for 2-Methylbenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.