5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole
TL;DR: 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole (CAS 1119449-45-4) is a chemical compound with molecular formula C12H14ClNO and molecular weight 223.07639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-2-(chloromethyl)-1,3-benzoxazole
Also Known As: 5-tert-butyl-2-(chloromethyl)-1,3-benzoxazole, (2-Bromphenyl)acetamid, butylchloromethylbenzoxazole, 5-(tert-butyl)-2-(chloromethyl)-1,3-benzoxazole, 5-(tert-butyl)-2-(chloromethyl)benzoxazole
Technical Specifications
| Molecular Formula | C12H14ClNO |
| Molecular Weight | 223.07639 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.07639 Da |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(=N2)CCl |
| InChIKey | ISCZMFMELFUQGR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole
Property Insights of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole
The XLogP value of 3.9 indicates that 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-2-(chloromethyl)-1,3-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 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole?
The CAS number of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole is 1119449-45-4.
What is the molecular formula of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole?
The molecular formula of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole is C12H14ClNO.
What is the molecular weight of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole?
The molecular weight of 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole is 223.07639 g/mol.
Where can I buy 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole?
You can request a quote for 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-2-(chloromethyl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.