2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone
TL;DR: 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone (CAS 161996-36-7) is a chemical compound with molecular formula C8H10BrN5O4 and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
Also Known As: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone, 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-morpholinoethanone, 2-(5-bromo-3-nitro(1,2,4-triazolyl))-1-morpholin-4-ylethan-1-one, 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone
| Molecular Formula | C8H10BrN5O4 |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | -0.1924 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.9916 |
| Heavy Atoms | 18 |
| Complexity | 470.05243 |
Chemical Identifiers
| CAS Number | 161996-36-7 |
|---|---|
| SMILES | C1COCCN1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br |
Product Overview
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone (CAS 161996-36-7), with molecular formula C8H10BrN5O4 and molecular weight 318.99 g/mol. IUPAC: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone
Property Insights of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone
The XLogP value of -0.1924 indicates that 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone. Following Lipinski's Rule of Five, 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone has 0 hydrogen bond donor(s) and 6 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-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone?
The CAS number of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone is 161996-36-7.
What is the molecular formula of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone?
The molecular formula of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone is C8H10BrN5O4.
What is the molecular weight of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone?
The molecular weight of 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone is 318.99 g/mol.
Where can I buy 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone?
You can request a quote for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-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 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.