1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime
TL;DR: 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime (CAS 175276-45-6) is a chemical compound with molecular formula C4H4BrN3O and molecular weight 188.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromo-1H-pyrazol-5-yl)methylidene]hydroxylamine
Also Known As: 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime, 4-BROMO-1H-PYRAZOLE-3-CARBALDEHYDE OXIME, 4-bromo-1H-pyrazole-3-carbaldehyde oxime, tech.
| Molecular Formula | C4H4BrN3O |
|---|---|
| Molecular Weight | 188.95 g/mol |
| LogP | 0.9803 |
| Topological Polar Surface Area | 61.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.95377 |
| Heavy Atoms | 9 |
| Complexity | 219.34225 |
Chemical Identifiers
| CAS Number | 175276-45-6 |
|---|---|
| SMILES | C1=NNC(=C1Br)C=NO |
Product Overview
1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime (CAS 175276-45-6), with molecular formula C4H4BrN3O and molecular weight 188.95 g/mol. IUPAC: N-[(4-bromo-1H-pyrazol-5-yl)methylidene]hydroxylamine.
Chemical Property Profile of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime
Property Insights of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime
The XLogP value of 0.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime. The TPSA of 61.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime has 2 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 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime?
The CAS number of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime is 175276-45-6.
What is the molecular formula of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime?
The molecular formula of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime is C4H4BrN3O.
What is the molecular weight of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime?
The molecular weight of 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime is 188.95 g/mol.
Where can I buy 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime?
You can request a quote for 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxaldehyde, 4-bromo-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.