![2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide structure](/static/products/835/835896-79-2.png)
2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
TL;DR: 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide (CAS 835896-79-2) is a chemical compound with molecular formula C17H13BrN6O3S and molecular weight 460.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-bromo-2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
Also Known As: 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide, 2-((5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)acetamide, 2-[[(5Z)-5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide, 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide, 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
| Molecular Formula | C17H13BrN6O3S |
|---|---|
| Molecular Weight | 460.00 g/mol |
| LogP | 2.8402 |
| Topological Polar Surface Area | 139.55 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.99533 |
| Heavy Atoms | 28 |
| Complexity | 1231.0889 |
Chemical Identifiers
| CAS Number | 835896-79-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=O)CSC3=NNC(=N3)C4=C(C=CC(=C4)Br)O)NC(=O)N2 |
Product Overview
2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide (CAS 835896-79-2), with molecular formula C17H13BrN6O3S and molecular weight 460.00 g/mol. IUPAC: 2-[[5-(5-bromo-2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
Chemical Property Profile of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Property Insights of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
The XLogP value of 2.8402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide. The TPSA of 139.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide has 5 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-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide?
The CAS number of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide is 835896-79-2.
What is the molecular formula of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide?
The molecular formula of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide is C17H13BrN6O3S.
What is the molecular weight of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide?
The molecular weight of 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide is 460.00 g/mol.
Where can I buy 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide?
You can request a quote for 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.