![(4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione structure](/static/products/801/80141-74-8.png)
(4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione
TL;DR: (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione (CAS 80141-74-8) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(C,N-dimethylcarbonimidoyl)-3-hydroxy-2-phenyl-1H-pyrazol-5-one
Also Known As: (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione, 4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione, 4-(C,N-dimethylcarbonimidoyl)-3-hydroxy-2-phenyl-1H-pyrazol-5-one
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 80141-74-8 |
|---|---|
| SMILES | CC(=NC)C1=C(N(NC1=O)C2=CC=CC=C2)O |
| InChIKey | CLLMWOIWUFOZJZ-UHFFFAOYSA-N |
Product Overview
(4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione (CAS 80141-74-8), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 4-(C,N-dimethylcarbonimidoyl)-3-hydroxy-2-phenyl-1H-pyrazol-5-one.
Chemical Property Profile of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione
Property Insights of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione. Following Lipinski's Rule of Five, (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione 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 (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione?
The CAS number of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione is 80141-74-8.
What is the molecular formula of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione?
The molecular formula of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione is C12H13N3O2.
What is the molecular weight of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione?
The molecular weight of (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione is 231.10 g/mol.
Where can I buy (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione?
You can request a quote for (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[1-(methylamino)ethylidene]-1-phenylpyrazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.