![3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/488/488093-13-6.png)
3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 488093-13-6) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(phenoxymethyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(PHENOXY-ME)-4-((2,4,5-TRIMETHOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(2,4,5-trimethoxyphenyl)-1-azavinyl]-5-(phenoxymethyl)-1,2,4-triazol e-3-thiol, 5-(phenoxymethyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.42769 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 1014.51825 |
Chemical Identifiers
| CAS Number | 488093-13-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1/C=N/N2C(=NNC2=S)COC3=CC=CC=C3)OC)OC |
Product Overview
3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 488093-13-6), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.42769 indicates that 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 7 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 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 488093-13-6.
What is the molecular formula of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is C19H20N4O4S.
What is the molecular weight of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 400.12 g/mol.
Where can I buy 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(phenoxymethyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.