2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone (CAS 917219-29-5) is a chemical compound with molecular formula C8H10Br2N4O and molecular weight 335.92 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)-1-pyrrolidin-1-ylethanone
Also Known As: 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone, AP-853/43405558, 2-(3,5-dibromo-1,2,4-triazol-1-yl)-1-pyrrolidin-1-ylethanone, 2-(dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one, 3,5-dibromo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-1,2,4-triazole
| Molecular Formula | C8H10Br2N4O |
|---|---|
| Molecular Weight | 335.92 g/mol |
| LogP | 1.4255 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.92215 |
| Heavy Atoms | 15 |
| Complexity | 372.71863 |
Chemical Identifiers
| CAS Number | 917219-29-5 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CN2C(=NC(=N2)Br)Br |
Product Overview
2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone (CAS 917219-29-5), with molecular formula C8H10Br2N4O and molecular weight 335.92 g/mol. IUPAC: 2-(3,5-dibromo-1,2,4-triazol-1-yl)-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 1.4255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone. With a topological polar surface area (TPSA) of 51.02 Ų, 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone 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)-1-(pyrrolidin-1-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 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone is 917219-29-5.
What is the molecular formula of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone is C8H10Br2N4O.
What is the molecular weight of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone is 335.92 g/mol.
Where can I buy 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone 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)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.