2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
TL;DR: 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone (CAS 163729-26-8) is a chemical compound with molecular formula C14H10BrN3O and molecular weight 315.00073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
Also Known As: 2-(benzotriazol-1-yl)-1-(4-bromophenyl)ethanone, 2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-bromophenyl)ethan-1-one, BAS 00315932, 2-benzotriazolyl-1-(4-bromophenyl)ethan-1-one, 2-(1-benzotriazolyl)-1-(4-bromophenyl)ethanone
Technical Specifications
| Molecular Formula | C14H10BrN3O |
| Molecular Weight | 315.00073 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.00073 Da |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Br |
| InChIKey | VGUSWIHOGHPDPF-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
Property Insights of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone
The XLogP value of 3.5 indicates that 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone 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 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone?
The CAS number of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone is 163729-26-8.
What is the molecular formula of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone?
The molecular formula of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone is C14H10BrN3O.
What is the molecular weight of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone?
The molecular weight of 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone is 315.00073 g/mol.
Where can I buy 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone?
You can request a quote for 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.