4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one (CAS 43068-92-4) is a chemical compound with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: CHLOROANTIPYRINE, 4-CHLORO-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-chloro-1,5-dimethyl-2-phenylpyrazol-3-one, 4-chloro-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, AN-584/43522516
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 43068-92-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Cl |
| InChIKey | QCUJRLKNQGXLCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one (CAS 43068-92-4), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 4-chloro-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one. With a topological polar surface area (TPSA) of 23.6 Ų, 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one 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 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is 43068-92-4.
What is the molecular formula of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is C11H11ClN2O.
What is the molecular weight of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is 222.06 g/mol.
Where can I buy 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.