Benzotriazol-1-YL-(3-nitro-phenyl)-methanone
TL;DR: Benzotriazol-1-YL-(3-nitro-phenyl)-methanone (CAS 92133-97-6) is a chemical compound with molecular formula C13H8N4O3 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(3-nitrophenyl)methanone
Also Known As: 1-(3-nitrobenzoyl)-1H-1,2,3-benzotriazole, benzotriazolyl 3-nitrophenyl ketone, benzotriazol-1-yl-(3-nitrophenyl)methanone, BAS 00095295, Benzotriazol-1-yl-(3-nitro-phenyl)-methanone
| Molecular Formula | C13H8N4O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.05963 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 92133-97-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | MXXZHDYGAKNXLA-UHFFFAOYSA-N |
Product Overview
Benzotriazol-1-YL-(3-nitro-phenyl)-methanone (CAS 92133-97-6), with molecular formula C13H8N4O3 and molecular weight 268.06 g/mol. IUPAC: benzotriazol-1-yl-(3-nitrophenyl)methanone.
Chemical Property Profile of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone
Property Insights of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-YL-(3-nitro-phenyl)-methanone. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-YL-(3-nitro-phenyl)-methanone. Following Lipinski's Rule of Five, Benzotriazol-1-YL-(3-nitro-phenyl)-methanone has 0 hydrogen bond donor(s) and 5 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 Benzotriazol-1-YL-(3-nitro-phenyl)-methanone?
The CAS number of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone is 92133-97-6.
What is the molecular formula of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone?
The molecular formula of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone is C13H8N4O3.
What is the molecular weight of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone?
The molecular weight of Benzotriazol-1-YL-(3-nitro-phenyl)-methanone is 268.06 g/mol.
Where can I buy Benzotriazol-1-YL-(3-nitro-phenyl)-methanone?
You can request a quote for Benzotriazol-1-YL-(3-nitro-phenyl)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-YL-(3-nitro-phenyl)-methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-YL-(3-nitro-phenyl)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.