2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
TL;DR: 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 477331-51-4) is a chemical compound with molecular formula C23H19FN4O2S and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: Salor-int l245070-1ea, 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone, 2-((4-(4-ETHOXY-PH)5-(3-PYRIDINYL)4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-F-PH)ETHANONE, 2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
| Molecular Formula | C23H19FN4O2S |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 4.8421 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.12128 |
| Heavy Atoms | 31 |
| Complexity | 1162.673 |
Chemical Identifiers
| CAS Number | 477331-51-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4 |
Product Overview
2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 477331-51-4), with molecular formula C23H19FN4O2S and molecular weight 434.12 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
Property Insights of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
The XLogP value of 4.8421 indicates that 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone. Following Lipinski's Rule of Five, 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone has 0 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 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The CAS number of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 477331-51-4.
What is the molecular formula of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular formula of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is C23H19FN4O2S.
What is the molecular weight of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular weight of 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 434.12 g/mol.
Where can I buy 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
You can request a quote for 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-Ethoxy-PH)5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.