6-Nitro-2,1-benzoxazole
TL;DR: 6-Nitro-2,1-benzoxazole (CAS 15264-44-5) is a chemical compound with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2,1-benzoxazole
Also Known As: 6-nitro-2,1-benzoxazole, 6-nitrobenzo[c]isoxazole, 6-nitro-2,1-Benzisoxazole, 6-Nitroanthranil, 6-Nitroanthroxan
| Molecular Formula | C7H4N2O3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02219 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 15264-44-5 |
|---|---|
| SMILES | C1=CC2=CON=C2C=C1[N+](=O)[O-] |
| InChIKey | VXUKBYHFZXHKFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-2,1-benzoxazole (CAS 15264-44-5), with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol. IUPAC: 6-nitro-2,1-benzoxazole.
Chemical Property Profile of 6-Nitro-2,1-benzoxazole
Property Insights of 6-Nitro-2,1-benzoxazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-2,1-benzoxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-2,1-benzoxazole. Following Lipinski's Rule of Five, 6-Nitro-2,1-benzoxazole 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 6-Nitro-2,1-benzoxazole?
The CAS number of 6-Nitro-2,1-benzoxazole is 15264-44-5.
What is the molecular formula of 6-Nitro-2,1-benzoxazole?
The molecular formula of 6-Nitro-2,1-benzoxazole is C7H4N2O3.
What is the molecular weight of 6-Nitro-2,1-benzoxazole?
The molecular weight of 6-Nitro-2,1-benzoxazole is 164.02 g/mol.
Where can I buy 6-Nitro-2,1-benzoxazole?
You can request a quote for 6-Nitro-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 6-Nitro-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.