3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole
TL;DR: 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole (CAS 851814-27-2) is a chemical compound with molecular formula C21H12ClNO and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole
Also Known As: 3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole, 3-(4-Chloro-phenyl)-5-phenylethynyl-benzo[c]isoxazole, 3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole, 3-(4-chlorophenyl)-5-(2-phenylethynyl)benzo[c]isoxazole
| Molecular Formula | C21H12ClNO |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 5.548 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.06073 |
| Heavy Atoms | 24 |
| Complexity | 1053.8933 |
Chemical Identifiers
| CAS Number | 851814-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole (CAS 851814-27-2), with molecular formula C21H12ClNO and molecular weight 329.06 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole
Property Insights of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole
The XLogP value of 5.548 indicates that 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole?
The CAS number of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole is 851814-27-2.
What is the molecular formula of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole?
The molecular formula of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole is C21H12ClNO.
What is the molecular weight of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole?
The molecular weight of 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole is 329.06 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole?
You can request a quote for 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.