![3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one structure](/static/products/1164/1164471-74-2.webp)
3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one
TL;DR: 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one (CAS 1164471-74-2) is a chemical compound with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one
Also Known As: 3-[(4-chloroanilino)methylene]-1-(2-pyrimidinyl)-2-pyrrolidinone, 3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one, 3-{[(4-chlorophenyl)amino]methylidene}-1-(pyrimidin-2-yl)pyrrolidin-2-one
| Molecular Formula | C15H13ClN4O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.8627 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0778 |
| Heavy Atoms | 21 |
| Complexity | 669.83276 |
Chemical Identifiers
| CAS Number | 1164471-74-2 |
|---|---|
| SMILES | C1CN(C(=O)C1=CNC2=CC=C(C=C2)Cl)C3=NC=CC=N3 |
Product Overview
3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one (CAS 1164471-74-2), with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol. IUPAC: 3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one.
Chemical Property Profile of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one
Property Insights of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one
The XLogP value of 2.8627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one. With a topological polar surface area (TPSA) of 58.12 Ų, 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-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 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one?
The CAS number of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one is 1164471-74-2.
What is the molecular formula of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one?
The molecular formula of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one is C15H13ClN4O.
What is the molecular weight of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one?
The molecular weight of 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one is 300.08 g/mol.
Where can I buy 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one?
You can request a quote for 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.