![4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one structure](/static/products/796/796880-23-4.png)
4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
TL;DR: 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 796880-23-4) is a chemical compound with molecular formula C18H16ClN3O2 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-{[(5-chloro-2-methoxyphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (Z)-4-(((5-chloro-2-methoxyphenyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C18H16ClN3O2 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 3.88662 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0931 |
| Heavy Atoms | 24 |
| Complexity | 942.6429 |
Chemical Identifiers
| CAS Number | 796880-23-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=C(C=CC(=C3)Cl)OC |
Product Overview
4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 796880-23-4), with molecular formula C18H16ClN3O2 and molecular weight 341.09 g/mol. IUPAC: 4-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
Property Insights of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
The XLogP value of 3.88662 indicates that 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one 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 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The CAS number of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is 796880-23-4.
What is the molecular formula of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular formula of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is C18H16ClN3O2.
What is the molecular weight of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular weight of 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is 341.09 g/mol.
Where can I buy 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
You can request a quote for 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-chloro-2-methoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.