1,3-Dimethyl-4-benzoyl-5-pyrazolone
TL;DR: 1,3-Dimethyl-4-benzoyl-5-pyrazolone (CAS 40030-37-3) 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.
4-benzoyl-2,5-dimethyl-1H-pyrazol-3-one
Also Known As: 1,3-dimethyl-4-benzoyl-5-pyrazolone, 1-methyl-3-methyl-4-benzoylpyrazol-5-one, 4-benzoyl-2,5-dimethyl-1H-pyrazol-3-one, 4-benzoyl-1,3-dimethyl-1H-pyrazol-5-ol, 1,3-Dimethyl-4-benzoyl-1H-pyrazole-5-ol
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 40030-37-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C)C(=O)C2=CC=CC=C2 |
| InChIKey | CFOHKFDBDGUYFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-4-benzoyl-5-pyrazolone (CAS 40030-37-3), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 4-benzoyl-2,5-dimethyl-1H-pyrazol-3-one.
Chemical Property Profile of 1,3-Dimethyl-4-benzoyl-5-pyrazolone
Property Insights of 1,3-Dimethyl-4-benzoyl-5-pyrazolone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-4-benzoyl-5-pyrazolone. With a topological polar surface area (TPSA) of 49.4 Ų, 1,3-Dimethyl-4-benzoyl-5-pyrazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-benzoyl-5-pyrazolone has 1 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 1,3-Dimethyl-4-benzoyl-5-pyrazolone?
The CAS number of 1,3-Dimethyl-4-benzoyl-5-pyrazolone is 40030-37-3.
What is the molecular formula of 1,3-Dimethyl-4-benzoyl-5-pyrazolone?
The molecular formula of 1,3-Dimethyl-4-benzoyl-5-pyrazolone is C12H12N2O2.
What is the molecular weight of 1,3-Dimethyl-4-benzoyl-5-pyrazolone?
The molecular weight of 1,3-Dimethyl-4-benzoyl-5-pyrazolone is 216.09 g/mol.
Where can I buy 1,3-Dimethyl-4-benzoyl-5-pyrazolone?
You can request a quote for 1,3-Dimethyl-4-benzoyl-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-benzoyl-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-benzoyl-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.