![2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide structure](/static/products/1005/1005685-56-2.webp)
2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
TL;DR: 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide (CAS 1005685-56-2) is a chemical compound with molecular formula C13H18N6OS and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
Also Known As: 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide, 2-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide, 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-acetamide, N~1~-ALLYL-2-({4-METHYL-5-[(3-METHYL-1H-PYRAZOL-1-YL)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C13H18N6OS |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 0.76262 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.12628 |
| Heavy Atoms | 21 |
| Complexity | 632.395 |
Chemical Identifiers
| CAS Number | 1005685-56-2 |
|---|---|
| SMILES | CC1=NN(C=C1)CC2=NN=C(N2C)SCC(=O)NCC=C |
Product Overview
2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide (CAS 1005685-56-2), with molecular formula C13H18N6OS and molecular weight 306.13 g/mol. IUPAC: 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide.
Chemical Property Profile of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
Property Insights of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
The XLogP value of 0.76262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide. Following Lipinski's Rule of Five, 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide 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-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The CAS number of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is 1005685-56-2.
What is the molecular formula of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The molecular formula of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is C13H18N6OS.
What is the molecular weight of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The molecular weight of 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is 306.13 g/mol.
Where can I buy 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
You can request a quote for 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.