5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole
TL;DR: 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole (CAS 123119-76-6) is a chemical compound with molecular formula C11H6ClNOS and molecular weight 234.98586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-thiophen-2-yl-1,3-benzoxazole
Also Known As: 5-chloro-2-(thiophen-2-yl)-1,3-benzoxazole, Benzoxazole, 5-chloro-2-(2-thienyl)-, 5-Chloro-2-(thiophen-2-yl)benzoxazole, 5-chloro-2-thiophen-2-yl-1,3-benzoxazole
Technical Specifications
| Molecular Formula | C11H6ClNOS |
| Molecular Weight | 234.98586 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.98586 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CSC(=C1)C2=NC3=C(O2)C=CC(=C3)Cl |
| InChIKey | PSSAXTCZHXMOBW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole
Property Insights of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole
The XLogP value of 3.8 indicates that 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(thiophen-2-yl)-1,3-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-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole?
The CAS number of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole is 123119-76-6.
What is the molecular formula of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole?
The molecular formula of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole is C11H6ClNOS.
What is the molecular weight of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole?
The molecular weight of 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole is 234.98586 g/mol.
Where can I buy 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole?
You can request a quote for 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.