![1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone structure](/static/products/154/154700-65-9.webp)
1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone
TL;DR: 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone (CAS 154700-65-9) is a chemical compound with molecular formula C15H14N4O and molecular weight 266.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(benzotriazol-1-ylmethylamino)phenyl]ethanone
Also Known As: AB00074850-01, 1-[4-(benzotriazol-1-ylmethylamino)phenyl]ethanone, 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone, 1-{4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]phenyl}ethanone, 1-(4-(((1H-benzo[d][1,2,3]triazol-1-yl)methyl)amino)phenyl)ethanone
Technical Specifications
| Molecular Formula | C15H14N4O |
| Molecular Weight | 266.11676 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.11676 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | KJXWYKVJHKRWPN-UHFFFAOYSA-N |
Chemical Property Profile of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone
Property Insights of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone. With a topological polar surface area (TPSA) of 59.8 Ų, 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone has 1 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-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
The CAS number of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone is 154700-65-9.
What is the molecular formula of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
The molecular formula of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone is C15H14N4O.
What is the molecular weight of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
The molecular weight of 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone is 266.11676 g/mol.
Where can I buy 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
You can request a quote for 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone?
Yes, CoreyChem provides custom synthesis services for 1-{4-[(1H-benzotriazol-1-ylmethyl)amino]phenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.