![2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide structure](/static/products/828/828279-29-4.png)
2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
TL;DR: 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide (CAS 828279-29-4) is a chemical compound with molecular formula C12H13BrN4OS2 and molecular weight 371.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
Also Known As: 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide, 2-[[5-(4-Bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-2-propen-1-ylacetamide, 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-acetamide, 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide, N-ALLYL-2-{[5-(4-BROMO-2-THIENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C12H13BrN4OS2 |
|---|---|
| Molecular Weight | 371.97 g/mol |
| LogP | 2.7004 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.9714 |
| Heavy Atoms | 20 |
| Complexity | 622.756 |
Chemical Identifiers
| CAS Number | 828279-29-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC=C)C2=CC(=CS2)Br |
Product Overview
2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide (CAS 828279-29-4), with molecular formula C12H13BrN4OS2 and molecular weight 371.97 g/mol. IUPAC: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide.
Chemical Property Profile of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Property Insights of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
The XLogP value of 2.7004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide has 1 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-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide?
The CAS number of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide is 828279-29-4.
What is the molecular formula of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide?
The molecular formula of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide is C12H13BrN4OS2.
What is the molecular weight of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide?
The molecular weight of 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide is 371.97 g/mol.
Where can I buy 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide?
You can request a quote for 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-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-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.