5-Nitro-1-phenyl-1H-benzotriazole
TL;DR: 5-Nitro-1-phenyl-1H-benzotriazole (CAS 75116-67-5) 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-1-phenylbenzotriazole
Also Known As: 5-Nitro-1-phenyl-1H-benzotriazole, 5-nitro-1-phenylbenzotriazole, 5-Nitro-1-phenyl-1H-benzo[d][1,2,3]triazole, 5-nitro-1-phenyl-benzotriazole, 1h-1,2,3-benzotriazole, 5-nitro-1-phenyl-
| Molecular Formula | C12H8N4O2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.6 |
| 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 | 75116-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2 |
| InChIKey | FCKVYRYQUBHSSE-UHFFFAOYSA-N |
Product Overview
5-Nitro-1-phenyl-1H-benzotriazole (CAS 75116-67-5), with molecular formula C12H8N4O2 and molecular weight 240.06 g/mol. IUPAC: 5-nitro-1-phenylbenzotriazole.
Chemical Property Profile of 5-Nitro-1-phenyl-1H-benzotriazole
Property Insights of 5-Nitro-1-phenyl-1H-benzotriazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-1-phenyl-1H-benzotriazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1-phenyl-1H-benzotriazole. Following Lipinski's Rule of Five, 5-Nitro-1-phenyl-1H-benzotriazole 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 5-Nitro-1-phenyl-1H-benzotriazole?
The CAS number of 5-Nitro-1-phenyl-1H-benzotriazole is 75116-67-5.
What is the molecular formula of 5-Nitro-1-phenyl-1H-benzotriazole?
The molecular formula of 5-Nitro-1-phenyl-1H-benzotriazole is C12H8N4O2.
What is the molecular weight of 5-Nitro-1-phenyl-1H-benzotriazole?
The molecular weight of 5-Nitro-1-phenyl-1H-benzotriazole is 240.06 g/mol.
Where can I buy 5-Nitro-1-phenyl-1H-benzotriazole?
You can request a quote for 5-Nitro-1-phenyl-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-1-phenyl-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-1-phenyl-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.