![4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione structure](/static/products/489/489398-12-1.png)
4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CAS 489398-12-1) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, (E)-4-((3-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-methoxyphenyl)-1-azavinyl]-5-(phenoxymethyl)-1,2,4-triazole-3-thi ol, 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-{(E)-[(3-Methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.41049 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 886.86115 |
Chemical Identifiers
| CAS Number | 489398-12-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3 |
Product Overview
4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CAS 489398-12-1), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.41049 indicates that 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 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-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is 489398-12-1.
What is the molecular formula of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is C17H16N4O2S.
What is the molecular weight of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is 340.10 g/mol.
Where can I buy 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-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 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.