4-Bromoantipyrine
TL;DR: 4-Bromoantipyrine (CAS 5426-65-3) is a chemical compound with molecular formula C11H11BrN2O and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-Bromoantipyrine, Antipyrine, 4-bromo-, 4-Bromphenazon, 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one, 2-Phenyl isoindole-1,3-dione
| Molecular Formula | C11H11BrN2O |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.0055 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5426-65-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br |
| InChIKey | QYWWSDVPNCBSIA-UHFFFAOYSA-N |
Product Overview
4-Bromoantipyrine (CAS 5426-65-3), with molecular formula C11H11BrN2O and molecular weight 266.01 g/mol. IUPAC: 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromoantipyrine
Property Insights of 4-Bromoantipyrine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromoantipyrine. With a topological polar surface area (TPSA) of 23.6 Ų, 4-Bromoantipyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromoantipyrine has 0 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-Bromoantipyrine?
The CAS number of 4-Bromoantipyrine is 5426-65-3.
What is the molecular formula of 4-Bromoantipyrine?
The molecular formula of 4-Bromoantipyrine is C11H11BrN2O.
What is the molecular weight of 4-Bromoantipyrine?
The molecular weight of 4-Bromoantipyrine is 266.01 g/mol.
Where can I buy 4-Bromoantipyrine?
You can request a quote for 4-Bromoantipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromoantipyrine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromoantipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.