![4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one structure](/static/products/6813/6813-05-4.webp)
4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
TL;DR: 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one (CAS 6813-05-4) is a chemical compound with molecular formula C18H15ClN4O3 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
Also Known As: 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one, 4-[[(2-chloro-5-nitro-phenyl)amino]methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
| Molecular Formula | C18H15ClN4O3 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 2.29602 |
| Topological Polar Surface Area | 92.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.08328 |
| Heavy Atoms | 26 |
| Complexity | 1146.6598 |
Chemical Identifiers
| CAS Number | 6813-05-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=C)N2 |
Product Overview
4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one (CAS 6813-05-4), with molecular formula C18H15ClN4O3 and molecular weight 370.08 g/mol. IUPAC: 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one.
Chemical Property Profile of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
Property Insights of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
The XLogP value of 2.29602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one. The TPSA of 92.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one. Following Lipinski's Rule of Five, 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one has 2 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-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one?
The CAS number of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one is 6813-05-4.
What is the molecular formula of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one?
The molecular formula of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one is C18H15ClN4O3.
What is the molecular weight of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one?
The molecular weight of 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one is 370.08 g/mol.
Where can I buy 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one?
You can request a quote for 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-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-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.