(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one
TL;DR: (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one (CAS 1164489-67-1) is a chemical compound with molecular formula C16H13N3O and molecular weight 263.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one
Also Known As: (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one, 1-(2-methyl-3-phenylacryloyl)-1H-1,2,3-benzotriazole, (2E)-1-benzotriazolyl-2-methyl-3-phenylprop-2-en-1-one, (E)-1-(1-benzotriazolyl)-2-methyl-3-phenyl-2-propen-1-one, (2E)-1-(1H-benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one
Technical Specifications
| Molecular Formula | C16H13N3O |
| Molecular Weight | 263.10587 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.10587 Da |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
| SMILES | C/C(=C\C1=CC=CC=C1)/C(=O)N2C3=CC=CC=C3N=N2 |
| InChIKey | HHJAWIYTXXKCQC-VAWYXSNFSA-N |
Chemical Property Profile of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one
Property Insights of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one
The XLogP value of 3.5 indicates that (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one has 0 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 (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
The CAS number of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one is 1164489-67-1.
What is the molecular formula of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
The molecular formula of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one is C16H13N3O.
What is the molecular weight of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
The molecular weight of (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one is 263.10587 g/mol.
Where can I buy (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
You can request a quote for (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-(benzotriazol-1-yl)-2-methyl-3-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.