1-(4-Pyridylcarbonyl)benzotriazole
TL;DR: 1-(4-Pyridylcarbonyl)benzotriazole (CAS 144223-31-4) is a chemical compound with molecular formula C12H8N4O and molecular weight 224.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzotriazol-1-yl(pyridin-4-yl)methanone
Also Known As: 1-(4-Pyridylcarbonyl)benzotriazole, 1- BENZOTRIAZOLE, benzotriazol-1-yl(pyridin-4-yl)methanone, 1-(pyridin-4-ylcarbonyl)benzotriazole, 1-(4-Pyridylcarbonyl)-1H-benzotriazole
Technical Specifications
| Molecular Formula | C12H8N4O |
| Molecular Weight | 224.06981 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.06981 Da |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=NC=C3 |
| InChIKey | FVEXIHSMWMFMRK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Pyridylcarbonyl)benzotriazole
Property Insights of 1-(4-Pyridylcarbonyl)benzotriazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Pyridylcarbonyl)benzotriazole. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Pyridylcarbonyl)benzotriazole. Following Lipinski's Rule of Five, 1-(4-Pyridylcarbonyl)benzotriazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Pyridylcarbonyl)benzotriazole?
The CAS number of 1-(4-Pyridylcarbonyl)benzotriazole is 144223-31-4.
What is the molecular formula of 1-(4-Pyridylcarbonyl)benzotriazole?
The molecular formula of 1-(4-Pyridylcarbonyl)benzotriazole is C12H8N4O.
What is the molecular weight of 1-(4-Pyridylcarbonyl)benzotriazole?
The molecular weight of 1-(4-Pyridylcarbonyl)benzotriazole is 224.06981 g/mol.
Where can I buy 1-(4-Pyridylcarbonyl)benzotriazole?
You can request a quote for 1-(4-Pyridylcarbonyl)benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Pyridylcarbonyl)benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(4-Pyridylcarbonyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.