![2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide structure](/static/products/5499/5499-94-5.webp)
2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
TL;DR: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide (CAS 5499-94-5) is a chemical compound with molecular formula C19H19BrN4O2S and molecular weight 446.04 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-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
Also Known As: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide, 2-[[5-(5-bromo-2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide, 2-{[5-(3-Bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
| Molecular Formula | C19H19BrN4O2S |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 4.29784 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.0412 |
| Heavy Atoms | 27 |
| Complexity | 1003.3699 |
Chemical Identifiers
| CAS Number | 5499-94-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=C(C=CC(=C3)Br)O)C |
Product Overview
2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide (CAS 5499-94-5), with molecular formula C19H19BrN4O2S and molecular weight 446.04 g/mol. IUPAC: 2-[[5-(5-bromo-2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
Chemical Property Profile of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
Property Insights of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
The XLogP value of 4.29784 indicates that 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide has 2 hydrogen bond donor(s) and 5 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-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The CAS number of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is 5499-94-5.
What is the molecular formula of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The molecular formula of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is C19H19BrN4O2S.
What is the molecular weight of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The molecular weight of 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide is 446.04 g/mol.
Where can I buy 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
You can request a quote for 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)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-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.