1H-1,2,3-benzotriazol-5-yl(phenyl)methanone
TL;DR: 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone (CAS 107508-46-3) is a chemical compound with molecular formula C13H9N3O and molecular weight 223.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2H-benzotriazol-5-yl(phenyl)methanone
Also Known As: 5-Benzoyl-1H-benzotriazole, 5-benzoyl-1H-1,2,3-benzotriazole, 2H-benzotriazol-5-yl(phenyl)methanone, 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone, J1.834.366E
Technical Specifications
| Molecular Formula | C13H9N3O |
| Molecular Weight | 223.07455 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.07455 Da |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=NNN=C3C=C2 |
| InChIKey | HHGIHMOGFBYVIK-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone
Property Insights of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone. With a topological polar surface area (TPSA) of 58.6 Ų, 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone?
The CAS number of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone is 107508-46-3.
What is the molecular formula of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone?
The molecular formula of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone is C13H9N3O.
What is the molecular weight of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone?
The molecular weight of 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone is 223.07455 g/mol.
Where can I buy 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone?
You can request a quote for 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,3-benzotriazol-5-yl(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.