1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone
TL;DR: 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone (CAS 477330-45-3) is a chemical compound with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: CBKinase1_003976, CBKinase1_016376, SALOR-INT L244058-1EA, BRD-K80758744-001-01-0, 1-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
| Molecular Formula | C19H19BrN4OS |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.7991 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.0463 |
| Heavy Atoms | 26 |
| Complexity | 901.5386 |
Chemical Identifiers
| CAS Number | 477330-45-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=NC=C3 |
Product Overview
1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone (CAS 477330-45-3), with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol. IUPAC: 1-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone
Property Insights of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone
The XLogP value of 4.7991 indicates that 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone. Following Lipinski's Rule of Five, 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone has 0 hydrogen bond donor(s) and 5 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 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone?
The CAS number of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone is 477330-45-3.
What is the molecular formula of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone?
The molecular formula of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone is C19H19BrN4OS.
What is the molecular weight of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone?
The molecular weight of 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone is 430.05 g/mol.
Where can I buy 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone?
You can request a quote for 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-(4-BR-PH)-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-DI-ME-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.