![2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone structure](/static/products/4985/498548-96-2.webp)
2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone
TL;DR: 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone (CAS 498548-96-2) 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.
2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone, 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone, 2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone, 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone, 4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)morpholine
| Molecular Formula | C16H20N4O3S |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 1.345 |
| Topological Polar Surface Area | 69.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1256 |
| Heavy Atoms | 24 |
| Complexity | 671.217 |
Chemical Identifiers
| CAS Number | 498548-96-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCOCC2)COC3=CC=CC=C3 |
Product Overview
2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone (CAS 498548-96-2), with molecular formula C16H20N4O3S and molecular weight 348.13 g/mol. IUPAC: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone
Property Insights of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone
The XLogP value of 1.345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone. The TPSA of 69.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone. Following Lipinski's Rule of Five, 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone 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 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone?
The CAS number of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone is 498548-96-2.
What is the molecular formula of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone?
The molecular formula of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone is C16H20N4O3S.
What is the molecular weight of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone?
The molecular weight of 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone is 348.13 g/mol.
Where can I buy 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone?
You can request a quote for 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone 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-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.