![ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate structure](/static/products/6897/689746-58-5.webp)
ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate
TL;DR: ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate (CAS 689746-58-5) is a chemical compound with molecular formula C16H20N4O3S and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate, ethyl 2-({4-methyl-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl {5-[(benzylcarbonylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-ylthio}acetate, ethyl 2-((4-methyl-5-((2-phenylacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C16H20N4O3S |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 1.3292 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.1256 |
| Heavy Atoms | 24 |
| Complexity | 687.8859 |
Chemical Identifiers
| CAS Number | 689746-58-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)CNC(=O)CC2=CC=CC=C2 |
Product Overview
ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate (CAS 689746-58-5), with molecular formula C16H20N4O3S and molecular weight 348.13 g/mol. IUPAC: ethyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate
Property Insights of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate
The XLogP value of 1.3292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate. Following Lipinski's Rule of Five, ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate 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 ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate?
The CAS number of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate is 689746-58-5.
What is the molecular formula of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate?
The molecular formula of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate is C16H20N4O3S.
What is the molecular weight of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate?
The molecular weight of ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate is 348.13 g/mol.
Where can I buy ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate?
You can request a quote for ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(4-methyl-5-{[(phenylacetyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.