4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one
TL;DR: 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one (CAS 1024324-23-9) is a chemical compound with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-1-PHENYL-3-(2-PYRIDYLTHIOMETHYL)-3-PYRAZOLIN-5-ONE, 4-bromo-1-methyl-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one, 4-bromo-1-methyl-2-phenyl-5-(2-pyridylsulfanylmethyl)pyrazol-3-one, 4-Bromo-1-methyl-2-phenyl-5-((pyridin-2-ylthio)methyl)-1,2-dihydro-3H-pyrazol-3-one, 4-bromo-1-methyl-2-phenyl-5-[(pyridin-2-ylsulfanyl)methyl]-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C16H14BrN3OS |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 3.6258 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0041 |
| Heavy Atoms | 22 |
| Complexity | 827.8473 |
Chemical Identifiers
| CAS Number | 1024324-23-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC3=CC=CC=N3 |
Product Overview
4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one (CAS 1024324-23-9), with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol. IUPAC: 4-bromo-1-methyl-2-phenyl-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-one.
Chemical Property Profile of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one
Property Insights of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one
The XLogP value of 3.6258 indicates that 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one has 0 hydrogen bond donor(s) and 3 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-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one?
The CAS number of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one is 1024324-23-9.
What is the molecular formula of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one is C16H14BrN3OS.
What is the molecular weight of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one is 375.00 g/mol.
Where can I buy 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-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-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methyl-1-phenyl-3-(2-pyridylthiomethyl)-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.