2-(4-Chlorophenyl)-5-nitrobenzoxazole
TL;DR: 2-(4-Chlorophenyl)-5-nitrobenzoxazole (CAS 962-25-4) is a chemical compound with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole
Also Known As: 2-(4-Chlorophenyl)-5-nitrobenzoxazole, 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole, 2-(p-Chlorophenyl)-5-nitrobenzoxazole, 5-Nitro-2-[4-chlorophenyl]benzoxazole, 2-(4-chlorophenyl)-5-nitrobenzo[d]oxazole
| Molecular Formula | C13H7ClN2O3 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.01453 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 962-25-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl |
| InChIKey | ZSRRXNGHCTVYTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-5-nitrobenzoxazole (CAS 962-25-4), with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol. IUPAC: 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole.
Chemical Property Profile of 2-(4-Chlorophenyl)-5-nitrobenzoxazole
Property Insights of 2-(4-Chlorophenyl)-5-nitrobenzoxazole
The XLogP value of 3.9 indicates that 2-(4-Chlorophenyl)-5-nitrobenzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-5-nitrobenzoxazole. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5-nitrobenzoxazole has 0 hydrogen bond donor(s) and 4 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)-5-nitrobenzoxazole?
The CAS number of 2-(4-Chlorophenyl)-5-nitrobenzoxazole is 962-25-4.
What is the molecular formula of 2-(4-Chlorophenyl)-5-nitrobenzoxazole?
The molecular formula of 2-(4-Chlorophenyl)-5-nitrobenzoxazole is C13H7ClN2O3.
What is the molecular weight of 2-(4-Chlorophenyl)-5-nitrobenzoxazole?
The molecular weight of 2-(4-Chlorophenyl)-5-nitrobenzoxazole is 274.01 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5-nitrobenzoxazole?
You can request a quote for 2-(4-Chlorophenyl)-5-nitrobenzoxazole 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)-5-nitrobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5-nitrobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.