2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
TL;DR: 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde (CAS 91485-64-2) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
Also Known As: 2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde, 2,4-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazole-3-carbaldehyde, 3-formyl-2,4-dimethyl-1-phenyl-3-pyrazolin-5-one, 2,4-dimethyl-5-oxo-1-phenyl-pyrazole-3-carbaldehyde
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.29692 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 579.0565 |
Chemical Identifiers
| CAS Number | 91485-64-2 |
|---|---|
| SMILES | CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=O |
Product Overview
2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde (CAS 91485-64-2), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde.
Chemical Property Profile of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
Property Insights of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
The XLogP value of 1.29692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde. With a topological polar surface area (TPSA) of 44.0 Ų, 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde 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 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde?
The CAS number of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde is 91485-64-2.
What is the molecular formula of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde?
The molecular formula of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde is C12H12N2O2.
What is the molecular weight of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde?
The molecular weight of 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde is 216.09 g/mol.
Where can I buy 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde?
You can request a quote for 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.