1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone
TL;DR: 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone (CAS 424809-14-3) is a chemical compound with molecular formula C10H9BrN4O2 and molecular weight 295.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone
Also Known As: 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone, 4-[(4-bromophenoxy)acetyl]-4H-1,2,4-triazol-3-amine, 1-(3-amino-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone, 1-(3-amino(1,2,4-triazol-4-yl))-2-(4-bromophenoxy)ethan-1-one
| Molecular Formula | C10H9BrN4O2 |
|---|---|
| Molecular Weight | 295.99 g/mol |
| LogP | 1.342 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.99088 |
| Heavy Atoms | 17 |
| Complexity | 523.3571 |
Chemical Identifiers
| CAS Number | 424809-14-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)N2C=NN=C2N)Br |
Product Overview
1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone (CAS 424809-14-3), with molecular formula C10H9BrN4O2 and molecular weight 295.99 g/mol. IUPAC: 1-(3-amino-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone.
Chemical Property Profile of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone
Property Insights of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone
The XLogP value of 1.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone. Following Lipinski's Rule of Five, 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone has 1 hydrogen bond donor(s) and 5 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-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone?
The CAS number of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone is 424809-14-3.
What is the molecular formula of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone?
The molecular formula of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone is C10H9BrN4O2.
What is the molecular weight of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone?
The molecular weight of 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone is 295.99 g/mol.
Where can I buy 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone?
You can request a quote for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-amino-4H-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.