1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-
TL;DR: 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- (CAS 400900-22-3) is a chemical compound with molecular formula C17H12N2O2 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-1-phenylpyrazole-4-carbaldehyde
Also Known As: 3-Benzoyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-, 3-benzoyl-1-phenylpyrazole-4-carbaldehyde, T0516-6607
| Molecular Formula | C17H12N2O2 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.9158 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.08987 |
| Heavy Atoms | 21 |
| Complexity | 777.0645 |
Chemical Identifiers
| CAS Number | 400900-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NN(C=C2C=O)C3=CC=CC=C3 |
Product Overview
1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- (CAS 400900-22-3), with molecular formula C17H12N2O2 and molecular weight 276.09 g/mol. IUPAC: 3-benzoyl-1-phenylpyrazole-4-carbaldehyde.
Chemical Property Profile of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-
Property Insights of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-
The XLogP value of 2.9158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-. With a topological polar surface area (TPSA) of 51.96 Ų, 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- has 0 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-4-carboxaldehyde, 3-benzoyl-1-phenyl-?
The CAS number of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- is 400900-22-3.
What is the molecular formula of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-?
The molecular formula of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- is C17H12N2O2.
What is the molecular weight of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-?
The molecular weight of 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- is 276.09 g/mol.
Where can I buy 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-?
You can request a quote for 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carboxaldehyde, 3-benzoyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.