![N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide structure](/static/products/876/876865-51-9.png)
N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
TL;DR: N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CAS 876865-51-9) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, N-(cyanomethyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.13958 |
| Topological Polar Surface Area | 84.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 997.3307 |
Chemical Identifiers
| CAS Number | 876865-51-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=CC=C3OC |
Product Overview
N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CAS 876865-51-9), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Property Insights of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
The XLogP value of 3.13958 indicates that N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has 0 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 N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The CAS number of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is 876865-51-9.
What is the molecular formula of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The molecular formula of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is C20H19N5O2S.
What is the molecular weight of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The molecular weight of N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is 393.13 g/mol.
Where can I buy N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
You can request a quote for N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.