1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole (CAS 13417-39-5) is a chemical compound with molecular formula C12H7N5O4 and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)benzotriazole
Also Known As: 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole, (2,4-dinitrophenyl)benzotriazole, 1-(2,4-dinitrophenyl)benzotriazole, 1-(2,4-Dinitrophenyl)-1H-benzotriazole, BAS 00397210
| Molecular Formula | C12H7N5O4 |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 2.2369 |
| Topological Polar Surface Area | 116.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0498 |
| Heavy Atoms | 21 |
| Complexity | 872.9652 |
Chemical Identifiers
| CAS Number | 13417-39-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole (CAS 13417-39-5), with molecular formula C12H7N5O4 and molecular weight 285.05 g/mol. IUPAC: 1-(2,4-dinitrophenyl)benzotriazole.
Chemical Property Profile of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole
The XLogP value of 2.2369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole. The TPSA of 116.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 6 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-dinitrophenyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole is 13417-39-5.
What is the molecular formula of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole is C12H7N5O4.
What is the molecular weight of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole is 285.05 g/mol.
Where can I buy 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(2,4-dinitrophenyl)-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-dinitrophenyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dinitrophenyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.