![1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone structure](/static/products/337/33722-11-1.png)
1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone
TL;DR: 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone (CAS 33722-11-1) is a chemical compound with molecular formula C11H10BrN3O and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-bromophenyl)-5-methyltriazol-4-yl]ethanone
Also Known As: J2.987.717C, AO-048/13641009, 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone, 1-[1-(4-bromophenyl)-5-methyltriazol-4-yl]ethanone, 1-(1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethanone
| Molecular Formula | C11H10BrN3O |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 2.54082 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00073 |
| Heavy Atoms | 16 |
| Complexity | 530.6627 |
Chemical Identifiers
| CAS Number | 33722-11-1 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)C |
Product Overview
1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone (CAS 33722-11-1), with molecular formula C11H10BrN3O and molecular weight 279.00 g/mol. IUPAC: 1-[1-(4-bromophenyl)-5-methyltriazol-4-yl]ethanone.
Chemical Property Profile of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone
Property Insights of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone
The XLogP value of 2.54082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]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
Frequently Asked Questions
What is the CAS number of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone?
The CAS number of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone is 33722-11-1.
What is the molecular formula of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone?
The molecular formula of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone is C11H10BrN3O.
What is the molecular weight of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone?
The molecular weight of 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone is 279.00 g/mol.
Where can I buy 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone?
You can request a quote for 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.