2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 13024-89-0) 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.
2-(3-chloro-4-methylphenyl)-5-methyl-4H-pyrazol-3-one
Also Known As: BAS 01514022, BIM-0009016.P001, 2-(3-chloro-4-methylphenyl)-5-methyl-4H-pyrazol-3-one, 1-(3-chloro-4-methylphenyl)-3-methyl-2-pyrazolin-5-one, 2-(3-Chloro-4-methyl-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 2.76102 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 453.90118 |
Chemical Identifiers
| CAS Number | 13024-89-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C)Cl |
Product Overview
2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 13024-89-0), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.76102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.67 Ų, 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-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 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 13024-89-0.
What is the molecular formula of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C11H11ClN2O.
What is the molecular weight of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 222.06 g/mol.
Where can I buy 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-4-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.