1-(4-Nitrobenzoyl)-1H-benzotriazole
TL;DR: 1-(4-Nitrobenzoyl)-1H-benzotriazole (CAS 4231-71-4) 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-(4-nitrophenyl)methanone
Also Known As: PNZ-benzotriazole, benzotriazol-1-yl-(4-nitrophenyl)methanone, 1-(4-Nitrobenzoyl)-1H-1,2,3-benzotriazole, 1-(4-Nitrobenzoyl)-1H-benzotriazole, benzotriazolyl 4-nitrophenyl ketone
| 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 | 390.0 |
Chemical Identifiers
| CAS Number | 4231-71-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | QVSHSQXCFXHFMN-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrobenzoyl)-1H-benzotriazole (CAS 4231-71-4), with molecular formula C13H8N4O3 and molecular weight 268.06 g/mol. IUPAC: benzotriazol-1-yl-(4-nitrophenyl)methanone.
Chemical Property Profile of 1-(4-Nitrobenzoyl)-1H-benzotriazole
Property Insights of 1-(4-Nitrobenzoyl)-1H-benzotriazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzoyl)-1H-benzotriazole. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzoyl)-1H-benzotriazole. Following Lipinski's Rule of Five, 1-(4-Nitrobenzoyl)-1H-benzotriazole 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 1-(4-Nitrobenzoyl)-1H-benzotriazole?
The CAS number of 1-(4-Nitrobenzoyl)-1H-benzotriazole is 4231-71-4.
What is the molecular formula of 1-(4-Nitrobenzoyl)-1H-benzotriazole?
The molecular formula of 1-(4-Nitrobenzoyl)-1H-benzotriazole is C13H8N4O3.
What is the molecular weight of 1-(4-Nitrobenzoyl)-1H-benzotriazole?
The molecular weight of 1-(4-Nitrobenzoyl)-1H-benzotriazole is 268.06 g/mol.
Where can I buy 1-(4-Nitrobenzoyl)-1H-benzotriazole?
You can request a quote for 1-(4-Nitrobenzoyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzoyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzoyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.