4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE
TL;DR: 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE (CAS 1022526-47-1) is a chemical compound with molecular formula C14H14BrN5OS and molecular weight 379.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenylpyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-bromo-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenylpyrazol-3-one, 4-bromo-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-pyrazol-3-one, 4-bromo-1-methyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, C14H14BrN5OS
| Molecular Formula | C14H14BrN5OS |
|---|---|
| Molecular Weight | 379.01 g/mol |
| LogP | 2.3593 |
| Topological Polar Surface Area | 57.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.01025 |
| Heavy Atoms | 22 |
| Complexity | 851.99304 |
Chemical Identifiers
| CAS Number | 1022526-47-1 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br |
Product Overview
4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE (CAS 1022526-47-1), with molecular formula C14H14BrN5OS and molecular weight 379.01 g/mol. IUPAC: 4-bromo-1-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE
Property Insights of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE
The XLogP value of 2.3593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE. With a topological polar surface area (TPSA) of 57.64 Ų, 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE has 0 hydrogen bond donor(s) and 4 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 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE?
The CAS number of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE is 1022526-47-1.
What is the molecular formula of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE?
The molecular formula of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE is C14H14BrN5OS.
What is the molecular weight of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE?
The molecular weight of 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE is 379.01 g/mol.
Where can I buy 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE?
You can request a quote for 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 4-BROMO-2-METHYL-3-((5-METHYL(2,3,5-TRIAZOLYLTHIO))METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.