2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide
TL;DR: 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide (CAS 919259-91-9) is a chemical compound with molecular formula C8H12Br2N4O and molecular weight 337.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dibromo-1,2,4-triazol-1-yl)-N,N-diethylacetamide
Also Known As: 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide, 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N,N-diethylacetamide, AP-853/43405390
| Molecular Formula | C8H12Br2N4O |
|---|---|
| Molecular Weight | 337.94 g/mol |
| LogP | 1.6715 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.9378 |
| Heavy Atoms | 15 |
| Complexity | 348.41092 |
Chemical Identifiers
| CAS Number | 919259-91-9 |
|---|---|
| SMILES | CCN(CC)C(=O)CN1C(=NC(=N1)Br)Br |
Product Overview
2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide (CAS 919259-91-9), with molecular formula C8H12Br2N4O and molecular weight 337.94 g/mol. IUPAC: 2-(3,5-dibromo-1,2,4-triazol-1-yl)-N,N-diethylacetamide.
Chemical Property Profile of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide
Property Insights of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide
The XLogP value of 1.6715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide. With a topological polar surface area (TPSA) of 51.02 Ų, 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide 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 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
The CAS number of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide is 919259-91-9.
What is the molecular formula of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
The molecular formula of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide is C8H12Br2N4O.
What is the molecular weight of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
The molecular weight of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide is 337.94 g/mol.
Where can I buy 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
You can request a quote for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.