2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
TL;DR: 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 892194-89-7) is a chemical compound with molecular formula C17H19BrN4O3S and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-bromo-2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone, (6Z)-4-bromo-6-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one, 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone, 4-bromo-6-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C17H19BrN4O3S |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 2.5501 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.03613 |
| Heavy Atoms | 26 |
| Complexity | 805.30084 |
Chemical Identifiers
| CAS Number | 892194-89-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=C(C=CC(=C3)Br)O |
Product Overview
2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 892194-89-7), with molecular formula C17H19BrN4O3S and molecular weight 438.04 g/mol. IUPAC: 2-[[5-(5-bromo-2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
Property Insights of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
The XLogP value of 2.5501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone has 1 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-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The CAS number of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 892194-89-7.
What is the molecular formula of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular formula of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is C17H19BrN4O3S.
What is the molecular weight of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular weight of 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 438.04 g/mol.
Where can I buy 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
You can request a quote for 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.