2-Phenyl-5-nitrobenzotriazole
TL;DR: 2-Phenyl-5-nitrobenzotriazole (CAS 64264-33-1) is a chemical compound with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-phenylbenzotriazole
Also Known As: 2-phenyl-5-nitrobenzotriazole, 5-nitro-2-phenylbenzotriazole, 5-Nitro-2-phenyl-2H-benzotriazole, 2H-Benzotriazole, 5-nitro-2-phenyl-, 5-nitro-2-phenyl-2-hydrobenzotriazole
| Molecular Formula | C12H8N4O2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.06473 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 64264-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)[N+](=O)[O-] |
| InChIKey | GYXCDZYHDIYSSY-UHFFFAOYSA-N |
Product Overview
2-Phenyl-5-nitrobenzotriazole (CAS 64264-33-1), with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol. IUPAC: 5-nitro-2-phenylbenzotriazole.
Chemical Property Profile of 2-Phenyl-5-nitrobenzotriazole
Property Insights of 2-Phenyl-5-nitrobenzotriazole
The XLogP value of 3.2 indicates that 2-Phenyl-5-nitrobenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-5-nitrobenzotriazole. Following Lipinski's Rule of Five, 2-Phenyl-5-nitrobenzotriazole 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-Phenyl-5-nitrobenzotriazole?
The CAS number of 2-Phenyl-5-nitrobenzotriazole is 64264-33-1.
What is the molecular formula of 2-Phenyl-5-nitrobenzotriazole?
The molecular formula of 2-Phenyl-5-nitrobenzotriazole is C12H8N4O2.
What is the molecular weight of 2-Phenyl-5-nitrobenzotriazole?
The molecular weight of 2-Phenyl-5-nitrobenzotriazole is 240.06 g/mol.
Where can I buy 2-Phenyl-5-nitrobenzotriazole?
You can request a quote for 2-Phenyl-5-nitrobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-5-nitrobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-5-nitrobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.