6-Nitro-2-phenylbenzotriazol-1-oxide
TL;DR: 6-Nitro-2-phenylbenzotriazol-1-oxide (CAS 64264-32-0) is a chemical compound with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1-oxido-2-phenylbenzotriazol-1-ium
Also Known As: 6-nitro-2-phenylbenzotriazol-1-oxide, 2H-Benzotriazole, 5-nitro-2-phenyl-, 3-oxide, 5-nitro-2-phenyl-2H-benzotriazole 3-oxide, 6-nitro-1-oxido-2-phenylbenzotriazol-1-ium
| Molecular Formula | C12H8N4O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.05963 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 64264-32-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=CC(=CC3=[N+]2[O-])[N+](=O)[O-] |
| InChIKey | KFUBVSOWWBALKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-2-phenylbenzotriazol-1-oxide (CAS 64264-32-0), with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol. IUPAC: 6-nitro-1-oxido-2-phenylbenzotriazol-1-ium.
Chemical Property Profile of 6-Nitro-2-phenylbenzotriazol-1-oxide
Property Insights of 6-Nitro-2-phenylbenzotriazol-1-oxide
The XLogP value of 3.4 indicates that 6-Nitro-2-phenylbenzotriazol-1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-2-phenylbenzotriazol-1-oxide. Following Lipinski's Rule of Five, 6-Nitro-2-phenylbenzotriazol-1-oxide 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-phenylbenzotriazol-1-oxide?
The CAS number of 6-Nitro-2-phenylbenzotriazol-1-oxide is 64264-32-0.
What is the molecular formula of 6-Nitro-2-phenylbenzotriazol-1-oxide?
The molecular formula of 6-Nitro-2-phenylbenzotriazol-1-oxide is C12H8N4O3.
What is the molecular weight of 6-Nitro-2-phenylbenzotriazol-1-oxide?
The molecular weight of 6-Nitro-2-phenylbenzotriazol-1-oxide is 256.06 g/mol.
Where can I buy 6-Nitro-2-phenylbenzotriazol-1-oxide?
You can request a quote for 6-Nitro-2-phenylbenzotriazol-1-oxide 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-phenylbenzotriazol-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-phenylbenzotriazol-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.