5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime
TL;DR: 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime (CAS 110035-31-9) is a chemical compound with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine
Also Known As: 5-(4-chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime, 5-(4-Chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde oxime, N-{[5-(4-Chlorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl]methylidene}hydroxylamine
| Molecular Formula | C12H12ClN3O2 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 2.98232 |
| Topological Polar Surface Area | 59.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0618 |
| Heavy Atoms | 18 |
| Complexity | 575.7536 |
Chemical Identifiers
| CAS Number | 110035-31-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C=NO)OC2=CC=C(C=C2)Cl)C |
Product Overview
5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime (CAS 110035-31-9), with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol. IUPAC: N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine.
Chemical Property Profile of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime
Property Insights of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime
The XLogP value of 2.98232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime. With a topological polar surface area (TPSA) of 59.64 Ų, 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime has 1 hydrogen bond donor(s) and 4 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 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime?
The CAS number of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime is 110035-31-9.
What is the molecular formula of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime?
The molecular formula of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime is C12H12ClN3O2.
What is the molecular weight of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime?
The molecular weight of 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime is 265.06 g/mol.
Where can I buy 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime?
You can request a quote for 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.