(4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate
TL;DR: (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate (CAS 1022605-83-9) is a chemical compound with molecular formula C16H18BrN3OS2 and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate
Also Known As: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate, 4-BROMO-2-METHYL-1-PHENYL-3-((PYRROLIDINYLTHIOXOMETHYLTHIO)METHYL)-3-PYRAZOLIN-5-ONE, (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl pyrrolidine-1-carbodithioate, 4-bromo-1-methyl-2-phenyl-5-(pyrrolidine-1-carbothioylsulfanylmethyl)pyrazol-3-one, (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl pyrrolidine-1-carbodithioate
| Molecular Formula | C16H18BrN3OS2 |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 3.5524 |
| Topological Polar Surface Area | 30.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.00748 |
| Heavy Atoms | 23 |
| Complexity | 763.6228 |
Chemical Identifiers
| CAS Number | 1022605-83-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=S)N3CCCC3 |
Product Overview
(4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate (CAS 1022605-83-9), with molecular formula C16H18BrN3OS2 and molecular weight 411.01 g/mol. IUPAC: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate.
Chemical Property Profile of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate
Property Insights of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate
The XLogP value of 3.5524 indicates that (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.17 Ų, (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate 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-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate?
The CAS number of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate is 1022605-83-9.
What is the molecular formula of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate?
The molecular formula of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate is C16H18BrN3OS2.
What is the molecular weight of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate?
The molecular weight of (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate is 411.01 g/mol.
Where can I buy (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate?
You can request a quote for (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate 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-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl pyrrolidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.