1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole (CAS 362622-67-1) is a chemical compound with molecular formula C13H7N5O5 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(2,4-dinitrophenyl)methanone
Also Known As: 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole, benzotriazolyl 2,4-dinitrophenyl ketone, benzotriazol-1-yl-(2,4-dinitrophenyl)methanone, 1H-benzotriazol-1-yl(2,4-dinitrophenyl)methanone, 1H-1,2,3-BENZOTRIAZOL-1-YL(2,4-DINITROPHENYL)METHANONE
| Molecular Formula | C13H7N5O5 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 1.9362 |
| Topological Polar Surface Area | 134.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0447 |
| Heavy Atoms | 23 |
| Complexity | 964.2986 |
Chemical Identifiers
| CAS Number | 362622-67-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole (CAS 362622-67-1), with molecular formula C13H7N5O5 and molecular weight 313.04 g/mol. IUPAC: benzotriazol-1-yl-(2,4-dinitrophenyl)methanone.
Chemical Property Profile of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole
The XLogP value of 1.9362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole. The TPSA of 134.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 7 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-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole is 362622-67-1.
What is the molecular formula of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole is C13H7N5O5.
What is the molecular weight of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole is 313.04 g/mol.
Where can I buy 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dinitrobenzoyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.