4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one (CAS 81122-69-2) is a chemical compound with molecular formula C11H11BrN2O2 and molecular weight 282.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one
Also Known As: 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one, 3-hydroxymethyl-4-bromoantipyrine, 4-bromo-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one, 4-Bromo-5-(hydroxymethyl)-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-bromo-5-(hydroxymethyl)-1-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H11BrN2O2 |
|---|---|
| Molecular Weight | 282.00 g/mol |
| LogP | 1.4308 |
| Topological Polar Surface Area | 47.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0004 |
| Heavy Atoms | 16 |
| Complexity | 557.3538 |
Chemical Identifiers
| CAS Number | 81122-69-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CO |
Product Overview
4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one (CAS 81122-69-2), with molecular formula C11H11BrN2O2 and molecular weight 282.00 g/mol. IUPAC: 4-bromo-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one
The XLogP value of 1.4308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one. With a topological polar surface area (TPSA) of 47.16 Ų, 4-Bromo-3-(hydroxymethyl)-2-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-3-(hydroxymethyl)-2-methyl-1-phenyl-3-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-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one is 81122-69-2.
What is the molecular formula of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one is C11H11BrN2O2.
What is the molecular weight of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one is 282.00 g/mol.
Where can I buy 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-3-(hydroxymethyl)-2-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-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-(hydroxymethyl)-2-methyl-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.