![3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/497/497079-58-0.png)
3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 497079-58-0) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(phenoxymethyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(phenoxymethyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(phenoxymethyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.19069 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 901.29346 |
Chemical Identifiers
| CAS Number | 497079-58-0 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3 |
Product Overview
3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 497079-58-0), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.19069 indicates that 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-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 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-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 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 497079-58-0.
What is the molecular formula of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is C19H20N4O2S.
What is the molecular weight of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 368.13 g/mol.
Where can I buy 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)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)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(phenoxymethyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.