4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium
TL;DR: 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium (CAS 71989-66-7) is a chemical compound with molecular formula C5H7BrN2O2 and molecular weight 205.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium
Also Known As: 4-bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium, 4-bromo-3,5-dimethyl-1-hydroxypyrazole 2-oxide, 4-Bromo-3,5-dimethyl-2-oxo-1H-2lambda~5~-pyrazol-1-ol
| Molecular Formula | C5H7BrN2O2 |
|---|---|
| Molecular Weight | 205.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.96909 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 71989-66-7 |
|---|---|
| SMILES | CC1=C(C(=[N+](N1O)[O-])C)Br |
| InChIKey | HUUMTIBPWHLUIU-UHFFFAOYSA-N |
Product Overview
4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium (CAS 71989-66-7), with molecular formula C5H7BrN2O2 and molecular weight 205.97 g/mol. IUPAC: 4-bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium.
Chemical Property Profile of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium
Property Insights of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium. With a topological polar surface area (TPSA) of 50.6 Ų, 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium 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-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium?
The CAS number of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium is 71989-66-7.
What is the molecular formula of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium?
The molecular formula of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium is C5H7BrN2O2.
What is the molecular weight of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium?
The molecular weight of 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium is 205.97 g/mol.
Where can I buy 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium?
You can request a quote for 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-hydroxy-3,5-dimethyl-2-oxidopyrazol-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.