2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone
TL;DR: 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone (CAS 477333-11-2) is a chemical compound with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
Also Known As: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone, 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone, 2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethanone, 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone, 2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-1-(4-ethoxyphenyl)ethanone
| Molecular Formula | C23H19BrN4O2S |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 5.4655 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.0412 |
| Heavy Atoms | 31 |
| Complexity | 1162.673 |
Chemical Identifiers
| CAS Number | 477333-11-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone (CAS 477333-11-2), with molecular formula C23H19BrN4O2S and molecular weight 494.04 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone.
Chemical Property Profile of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone
Property Insights of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone
The XLogP value of 5.4655 indicates that 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-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-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone. Following Lipinski's Rule of Five, 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone?
The CAS number of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone is 477333-11-2.
What is the molecular formula of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone?
The molecular formula of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone is C23H19BrN4O2S.
What is the molecular weight of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone?
The molecular weight of 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone is 494.04 g/mol.
Where can I buy 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone?
You can request a quote for 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-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-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2((4-(4-BR-PH)5-(4-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)-1-(4-ethoxy-PH)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.