![4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/489/489404-20-8.png)
4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 489404-20-8) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(phenoxymethyl)-1,2,4-tri azole-3-thiol, 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 4.45709 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 926.81775 |
Chemical Identifiers
| CAS Number | 489404-20-8 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3 |
Product Overview
4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 489404-20-8), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: 4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.45709 indicates that 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 489404-20-8.
What is the molecular formula of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is C19H18N4OS.
What is the molecular weight of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 350.12 g/mol.
Where can I buy 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.