![2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester structure](/static/products/860/860784-27-6.webp)
2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester
TL;DR: 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester (CAS 860784-27-6) is a chemical compound with molecular formula C18H17N5O4S and molecular weight 399.10013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate
Also Known As: 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester, ethyl 2-[(1-acetyl-5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetate, ethyl 2-[(1-acetyl-5-oxo-4-{[4-(1,2,4-triazol-1-yl)phenyl]methylidene}imidazol-2-yl)sulfanyl]acetate, ethyl 2-[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate
Technical Specifications
| Molecular Formula | C18H17N5O4S |
| Molecular Weight | 399.10013 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.10013 Da |
| Heavy Atoms | 28 |
| Complexity | 687.0 |
| SMILES | CCOC(=O)CSC1=NC(=CC2=CC=C(C=C2)N3C=NC=N3)C(=O)N1C(=O)C |
| InChIKey | STTFMIKZFVMWJL-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester
Property Insights of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester. Following Lipinski's Rule of Five, 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester?
The CAS number of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester is 860784-27-6.
What is the molecular formula of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester?
The molecular formula of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester is C18H17N5O4S.
What is the molecular weight of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester?
The molecular weight of 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester is 399.10013 g/mol.
Where can I buy 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester?
You can request a quote for 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.