![2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide structure](/static/products/7168/7168-12-9.webp)
2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
TL;DR: 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide (CAS 7168-12-9) is a chemical compound with molecular formula C17H20N6O2S and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
Also Known As: 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide, 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide, 2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide, N~1~-ALLYL-2-{[5-(1,5-DIMETHYL-1H-PYRAZOL-3-YL)-4-(2-FURYLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C17H20N6O2S |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 2.02262 |
| Topological Polar Surface Area | 90.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.13684 |
| Heavy Atoms | 26 |
| Complexity | 877.1461 |
Chemical Identifiers
| CAS Number | 7168-12-9 |
|---|---|
| SMILES | CC1=CC(=NN1C)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NCC=C |
Product Overview
2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide (CAS 7168-12-9), with molecular formula C17H20N6O2S and molecular weight 372.14 g/mol. IUPAC: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide.
Chemical Property Profile of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Property Insights of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
The XLogP value of 2.02262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide. The TPSA of 90.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide. Following Lipinski's Rule of Five, 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide 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-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide?
The CAS number of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide is 7168-12-9.
What is the molecular formula of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide?
The molecular formula of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide is C17H20N6O2S.
What is the molecular weight of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide?
The molecular weight of 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide is 372.14 g/mol.
Where can I buy 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide?
You can request a quote for 2-({5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)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-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)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-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)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.