4-Chloro-1H-pyrazole-3-carbaldehydeoxime
TL;DR: 4-Chloro-1H-pyrazole-3-carbaldehydeoxime (CAS 288161-37-5) is a chemical compound with molecular formula C4H4ClN3O and molecular weight 145.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-1H-pyrazol-5-yl)methylidene]hydroxylamine
Also Known As: 4-chloro-1H-pyrazole-3-carboxaldehyde oxime, 4-CHLORO-1H-PYRAZOLE-3-CARBALDEHYDEOXIME, 1H-Pyrazole-3-carboxaldehyde,4-chloro-,oxime(9CI), 1H-Pyrazole-3-carboxaldehyde, 4-chloro-, oxime (9CI)
| Molecular Formula | C4H4ClN3O |
|---|---|
| Molecular Weight | 145.00 g/mol |
| LogP | 0.8712 |
| Topological Polar Surface Area | 61.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.00429 |
| Heavy Atoms | 9 |
| Complexity | 219.34225 |
Chemical Identifiers
| CAS Number | 288161-37-5 |
|---|---|
| SMILES | C1=NNC(=C1Cl)C=NO |
Product Overview
4-Chloro-1H-pyrazole-3-carbaldehydeoxime (CAS 288161-37-5), with molecular formula C4H4ClN3O and molecular weight 145.00 g/mol. IUPAC: N-[(4-chloro-1H-pyrazol-5-yl)methylidene]hydroxylamine.
Chemical Property Profile of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime
Property Insights of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime
The XLogP value of 0.8712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1H-pyrazole-3-carbaldehydeoxime. The TPSA of 61.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1H-pyrazole-3-carbaldehydeoxime. Following Lipinski's Rule of Five, 4-Chloro-1H-pyrazole-3-carbaldehydeoxime 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 4-Chloro-1H-pyrazole-3-carbaldehydeoxime?
The CAS number of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime is 288161-37-5.
What is the molecular formula of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime?
The molecular formula of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime is C4H4ClN3O.
What is the molecular weight of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime?
The molecular weight of 4-Chloro-1H-pyrazole-3-carbaldehydeoxime is 145.00 g/mol.
Where can I buy 4-Chloro-1H-pyrazole-3-carbaldehydeoxime?
You can request a quote for 4-Chloro-1H-pyrazole-3-carbaldehydeoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1H-pyrazole-3-carbaldehydeoxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1H-pyrazole-3-carbaldehydeoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.