3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
TL;DR: 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- (CAS 14580-22-4) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one
Also Known As: 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one, 1-(2-Chlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one, Chlorophenylmethylpyrazolone, 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, TRI-N-BUTYLTINFLUORIDE
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 14580-22-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=CC=C2Cl |
| InChIKey | CWESERWNUIUBJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- (CAS 14580-22-4), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
Property Insights of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-. With a topological polar surface area (TPSA) of 32.7 Ų, 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- 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 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-?
The CAS number of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- is 14580-22-4.
What is the molecular formula of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-?
The molecular formula of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- is C10H9ClN2O.
What is the molecular weight of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-?
The molecular weight of 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- is 208.04 g/mol.
Where can I buy 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-?
You can request a quote for 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.