(E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one
TL;DR: (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one (CAS 1334172-11-0) is a chemical compound with molecular formula C15H10ClN3O and molecular weight 283.05124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one
Also Known As: (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one, (2E)-1-benzotriazolyl-3-(3-chlorophenyl)prop-2-en-1-one, (2E)-1-(1H-benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C15H10ClN3O |
| Molecular Weight | 283.05124 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.05124 Da |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)/C=C/C3=CC(=CC=C3)Cl |
| InChIKey | ATXGSMFFEFVCBJ-CMDGGOBGSA-N |
Chemical Property Profile of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one
Property Insights of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one
The XLogP value of 3.7 indicates that (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-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)-3-(3-chlorophenyl)prop-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)-3-(3-chlorophenyl)prop-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)-3-(3-chlorophenyl)prop-2-en-1-one?
The CAS number of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one is 1334172-11-0.
What is the molecular formula of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one?
The molecular formula of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one is C15H10ClN3O.
What is the molecular weight of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one?
The molecular weight of (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one is 283.05124 g/mol.
Where can I buy (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one?
You can request a quote for (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-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)-3-(3-chlorophenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-(benzotriazol-1-yl)-3-(3-chlorophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.