4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 488097-05-8) is a chemical compound with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3,4-dimethoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((3,4-DIMETHOXYBENZYLIDENE)AMINO)5-(2-FURYL)4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-[(1E)-2-(3,4-dimethoxyphenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3-thiol, 4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H14N4O3S |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 3.10009 |
| Topological Polar Surface Area | 77.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.07867 |
| Heavy Atoms | 23 |
| Complexity | 880.5166 |
Chemical Identifiers
| CAS Number | 488097-05-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CO3)OC |
Product Overview
4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide (CAS 488097-05-8), with molecular formula C15H14N4O3S and molecular weight 330.08 g/mol. IUPAC: 4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 3.10009 indicates that 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide. Following Lipinski's Rule of Five, 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide has 1 hydrogen bond donor(s) and 6 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-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is 488097-05-8.
What is the molecular formula of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is C15H14N4O3S.
What is the molecular weight of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide is 330.08 g/mol.
Where can I buy 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,4-Dimethoxybenzylidene)amino)5-(2-furyl)4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.