![2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/894/894331-99-8.webp)
2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 894331-99-8) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-methyl-5-[1-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[4-methyl-5-[1-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Technical Specifications
| Molecular Formula | C14H18N4O2S |
| Molecular Weight | 306.11505 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.11505 Da |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
| SMILES | CC1=CC(=CC=C1)OC(C)C2=NN=C(N2C)SCC(=O)N |
| InChIKey | XTGDRQAJCFDDBC-UHFFFAOYSA-N |
Product Description
Applications: AC1O697Q is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1O697Q (CAS 894331-99-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, AC1O697Q (CAS 894331-99-8) has the molecular formula C14H18N4O2S and a molecular weight of 306.12 g/mol. It is also known as 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and 2-[[4-methyl-5-[1-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)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
What is the CAS number of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 894331-99-8.
What is the molecular formula of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C14H18N4O2S.
What is the molecular weight of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 306.11505 g/mol.
What are the applications of 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
AC1O697Q is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1O697Q (CAS 894331-99-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.