2-(4-Chlorophenyl)oxazole
TL;DR: 2-(4-Chlorophenyl)oxazole (CAS 46047-24-9) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-1,3-oxazole
Also Known As: 2-(4-CHLOROPHENYL)OXAZOLE, 2-(4-chlorophenyl)-1,3-oxazole, 2- OXAZOLE, J1.888.274D
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 46047-24-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=CO2)Cl |
| InChIKey | DSZGWLKZJBFPKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)oxazole (CAS 46047-24-9), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 2-(4-chlorophenyl)-1,3-oxazole.
Chemical Property Profile of 2-(4-Chlorophenyl)oxazole
Property Insights of 2-(4-Chlorophenyl)oxazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)oxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 2-(4-Chlorophenyl)oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)oxazole 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
Frequently Asked Questions
What is the CAS number of 2-(4-Chlorophenyl)oxazole?
The CAS number of 2-(4-Chlorophenyl)oxazole is 46047-24-9.
What is the molecular formula of 2-(4-Chlorophenyl)oxazole?
The molecular formula of 2-(4-Chlorophenyl)oxazole is C9H6ClNO.
What is the molecular weight of 2-(4-Chlorophenyl)oxazole?
The molecular weight of 2-(4-Chlorophenyl)oxazole is 179.01 g/mol.
Where can I buy 2-(4-Chlorophenyl)oxazole?
You can request a quote for 2-(4-Chlorophenyl)oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.