4,4-Dibromo-3-methyl-2-pyrazolin-5-one
TL;DR: 4,4-Dibromo-3-methyl-2-pyrazolin-5-one (CAS 33549-66-5) is a chemical compound with molecular formula C4H4Br2N2O and molecular weight 253.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dibromo-3-methyl-1H-pyrazol-5-one
Also Known As: 4,4-Dibromo-3-methyl-2-pyrazolin-5-one, 4,4-dibromo-3-methyl-1H-pyrazol-5(4H)-one, 4,4-dibromo-3-methyl-1H-pyrazol-5-one, 4,4-Dibromo-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 4,4-dibromo-3-methylpyrazol-5-one
| Molecular Formula | C4H4Br2N2O |
|---|---|
| Molecular Weight | 253.87 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.86903 |
| Heavy Atoms | 9 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 33549-66-5 |
|---|---|
| SMILES | CC1=NNC(=O)C1(Br)Br |
| InChIKey | QQQQLBQGDDSBCA-UHFFFAOYSA-N |
Product Overview
4,4-Dibromo-3-methyl-2-pyrazolin-5-one (CAS 33549-66-5), with molecular formula C4H4Br2N2O and molecular weight 253.87 g/mol. IUPAC: 4,4-dibromo-3-methyl-1H-pyrazol-5-one.
Chemical Property Profile of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one
Property Insights of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dibromo-3-methyl-2-pyrazolin-5-one. With a topological polar surface area (TPSA) of 41.5 Ų, 4,4-Dibromo-3-methyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dibromo-3-methyl-2-pyrazolin-5-one has 1 hydrogen bond donor(s) and 2 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 4,4-Dibromo-3-methyl-2-pyrazolin-5-one?
The CAS number of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one is 33549-66-5.
What is the molecular formula of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one?
The molecular formula of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one is C4H4Br2N2O.
What is the molecular weight of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one?
The molecular weight of 4,4-Dibromo-3-methyl-2-pyrazolin-5-one is 253.87 g/mol.
Where can I buy 4,4-Dibromo-3-methyl-2-pyrazolin-5-one?
You can request a quote for 4,4-Dibromo-3-methyl-2-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 4,4-Dibromo-3-methyl-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dibromo-3-methyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.