5-Methoxy-2,1-benzoxazole
TL;DR: 5-Methoxy-2,1-benzoxazole (CAS 122528-39-6) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methoxy-2,1-benzoxazole
Also Known As: 5-methoxybenzo[c]isoxazole, 5-methoxy-2,1-benzoxazole, 5-methoxy-2,1-Benzisoxazole, 2,1-Benzisoxazole, 5-methoxy-
Technical Specifications
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.04768 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 Da |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| SMILES | COC1=CC2=CON=C2C=C1 |
| InChIKey | KKPSHDAEPPMZDP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methoxy-2,1-benzoxazole
Property Insights of 5-Methoxy-2,1-benzoxazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-2,1-benzoxazole. With a topological polar surface area (TPSA) of 35.3 Ų, 5-Methoxy-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2,1-benzoxazole has 0 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 5-Methoxy-2,1-benzoxazole?
The CAS number of 5-Methoxy-2,1-benzoxazole is 122528-39-6.
What is the molecular formula of 5-Methoxy-2,1-benzoxazole?
The molecular formula of 5-Methoxy-2,1-benzoxazole is C8H7NO2.
What is the molecular weight of 5-Methoxy-2,1-benzoxazole?
The molecular weight of 5-Methoxy-2,1-benzoxazole is 149.04768 g/mol.
Where can I buy 5-Methoxy-2,1-benzoxazole?
You can request a quote for 5-Methoxy-2,1-benzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methoxy-2,1-benzoxazole?
Yes, CoreyChem provides custom synthesis services for 5-Methoxy-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.