1-Picrylbenzotriazole
TL;DR: 1-Picrylbenzotriazole (CAS 14758-25-9) is a chemical compound with molecular formula C12H6N6O6 and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,6-trinitrophenyl)benzotriazole
Also Known As: 1-picrylbenzotriazole, 1-Picryl-1H-benzotriazole, 1-(2,4,6-trinitrophenyl)benzotriazole, 1-(2,4,6-trinitrophenyl)-1H-1,2,3-benzotriazole, J3.485.807A
| Molecular Formula | C12H6N6O6 |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 2.1451 |
| Topological Polar Surface Area | 160.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.03488 |
| Heavy Atoms | 24 |
| Complexity | 977.191 |
Chemical Identifiers
| CAS Number | 14758-25-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-Picrylbenzotriazole (CAS 14758-25-9), with molecular formula C12H6N6O6 and molecular weight 330.03 g/mol. IUPAC: 1-(2,4,6-trinitrophenyl)benzotriazole.
Chemical Property Profile of 1-Picrylbenzotriazole
Property Insights of 1-Picrylbenzotriazole
The XLogP value of 2.1451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Picrylbenzotriazole. The TPSA of 160.13 Ų indicates high polarity, suggesting 1-Picrylbenzotriazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Picrylbenzotriazole has 0 hydrogen bond donor(s) and 8 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-Picrylbenzotriazole?
The CAS number of 1-Picrylbenzotriazole is 14758-25-9.
What is the molecular formula of 1-Picrylbenzotriazole?
The molecular formula of 1-Picrylbenzotriazole is C12H6N6O6.
What is the molecular weight of 1-Picrylbenzotriazole?
The molecular weight of 1-Picrylbenzotriazole is 330.03 g/mol.
Where can I buy 1-Picrylbenzotriazole?
You can request a quote for 1-Picrylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Picrylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Picrylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.