(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide
TL;DR: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide (CAS 487031-84-5) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide, 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide, 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide, N-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-2-[5-(3,4-dimethoxyphenyl)-4-ethy l(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 3.4827 |
| Topological Polar Surface Area | 103.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1059.917 |
Chemical Identifiers
| CAS Number | 487031-84-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C=C/C2=CC=CO2)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide (CAS 487031-84-5), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide
Property Insights of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide
The XLogP value of 3.4827 indicates that (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide has 1 hydrogen bond donor(s) and 8 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 (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide is 487031-84-5.
What is the molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide is C21H23N5O4S.
What is the molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide is 441.15 g/mol.
Where can I buy (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)allylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.