4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
TL;DR: 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one (CAS 68538-02-3) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00656759, BIM-0026137.P001, 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one, 1C-076, 2-Pyrazolin-5-one, 4-(p-anisidinomethylene)-3-methyl-1-phenyl-
| Molecular Formula | C18H17N3O2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.13208 |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 68538-02-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)OC |
| InChIKey | HYKGPXPNWRJBPS-UHFFFAOYSA-N |
Product Overview
4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one (CAS 68538-02-3), with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol. IUPAC: 4-[(4-methoxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
Property Insights of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
The XLogP value of 3.3 indicates that 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one has 1 hydrogen bond donor(s) and 4 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-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
The CAS number of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is 68538-02-3.
What is the molecular formula of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
The molecular formula of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is C18H17N3O2.
What is the molecular weight of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
The molecular weight of 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one is 307.13 g/mol.
Where can I buy 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
You can request a quote for 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-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-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.