5-Chloro-2,6-dimethylbenzoxazole
TL;DR: 5-Chloro-2,6-dimethylbenzoxazole (CAS 124911-52-0) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2,6-dimethyl-1,3-benzoxazole
Also Known As: 5-chloro-2,6-dimethylbenzoxazole, 5-Chloro-2,6-dimethylbenzo[d]oxazole, 5-chloro-2,6-dimethyl-benzooxazole, 5-chloro-2,6-dimethyl-1,3-benzoxazole, 653-785-2
Technical Specifications
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.02943 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.02943 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | CC1=CC2=C(C=C1Cl)N=C(O2)C |
| InChIKey | MZVRZUMWXILVOE-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2,6-dimethylbenzoxazole
Property Insights of 5-Chloro-2,6-dimethylbenzoxazole
The XLogP value of 3.2 indicates that 5-Chloro-2,6-dimethylbenzoxazole 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-Chloro-2,6-dimethylbenzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2,6-dimethylbenzoxazole 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-Chloro-2,6-dimethylbenzoxazole?
The CAS number of 5-Chloro-2,6-dimethylbenzoxazole is 124911-52-0.
What is the molecular formula of 5-Chloro-2,6-dimethylbenzoxazole?
The molecular formula of 5-Chloro-2,6-dimethylbenzoxazole is C9H8ClNO.
What is the molecular weight of 5-Chloro-2,6-dimethylbenzoxazole?
The molecular weight of 5-Chloro-2,6-dimethylbenzoxazole is 181.02943 g/mol.
Where can I buy 5-Chloro-2,6-dimethylbenzoxazole?
You can request a quote for 5-Chloro-2,6-dimethylbenzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2,6-dimethylbenzoxazole?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2,6-dimethylbenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.