Benzoxazole, 2-pentyl-
TL;DR: Benzoxazole, 2-pentyl- (CAS 6996-50-5) is a chemical compound with molecular formula C12H15NO and molecular weight 189.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pentyl-1,3-benzoxazole
Also Known As: 2-Pentylbenzoxazole, 2-Pentyl-benzoxazole, 2-n-Amyl-benzoxazole, 2-pentyl-1,3-benzoxazole, BENZOXAZOLE, 2-PENTYL-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.11537 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
| SMILES | CCCCCC1=NC2=CC=CC=C2O1 |
| InChIKey | VRDOVQBUTHQKPS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoxazole, 2-pentyl-
Property Insights of Benzoxazole, 2-pentyl-
The XLogP value of 4.0 indicates that Benzoxazole, 2-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 2-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-pentyl- 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 Benzoxazole, 2-pentyl-?
The CAS number of Benzoxazole, 2-pentyl- is 6996-50-5.
What is the molecular formula of Benzoxazole, 2-pentyl-?
The molecular formula of Benzoxazole, 2-pentyl- is C12H15NO.
What is the molecular weight of Benzoxazole, 2-pentyl-?
The molecular weight of Benzoxazole, 2-pentyl- is 189.11537 g/mol.
Where can I buy Benzoxazole, 2-pentyl-?
You can request a quote for Benzoxazole, 2-pentyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoxazole, 2-pentyl-?
Yes, CoreyChem provides custom synthesis services for Benzoxazole, 2-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.