![2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/894/894331-99-8.png)
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 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C14H18N4O2S |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 1.84092 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.11505 |
| Heavy Atoms | 21 |
| Complexity | 641.6543 |
Chemical Identifiers
| CAS Number | 894331-99-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C)C2=NN=C(N2C)SCC(=O)N |
Product Overview
2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 894331-99-8), with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol. IUPAC: 2-[[4-methyl-5-[1-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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 1.84092 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 83.03 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
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 306.12 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO 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.