![4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione structure](/static/products/488/488804-94-0.png)
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CAS 488804-94-0) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-[[(E)-3-(2-furyl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-[(E)-3-Furan-2-yl-prop-2-en-(E)-ylideneamino]-5-phenoxymethyl-4H-[1,2,4]triazole-3-thiol, 4-((E)-((E)-3-(furan-2-yl)allylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(phenoxymethyl)-1,2,4-triazole- 3-thiol
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.65999 |
| Topological Polar Surface Area | 68.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 847.8499 |
Chemical Identifiers
| CAS Number | 488804-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C=C/C3=CC=CO3 |
Product Overview
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CAS 488804-94-0), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.65999 indicates that 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-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 68.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is 488804-94-0.
What is the molecular formula of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is C16H14N4O2S.
What is the molecular weight of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is 326.08 g/mol.
Where can I buy 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.