methanolate structure](/static/products/577/577769-71-2.png)
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate
TL;DR: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate (CAS 577769-71-2) is a chemical compound with molecular formula C27H25ClN2O4 and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
Also Known As: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate, (4E)-5-(4-tert-butylphenyl)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione, 4-(3-Chloro-4-methoxybenzoyl)-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-1-(2-pyridinyl)-2H-pyrrol-2-one, 5-(4-(tert-butyl)phenyl)-4-(3-chloro-4-methoxybenzoyl)-3-hydroxy-1-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H25ClN2O4 |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 5.6674 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.1503 |
| Heavy Atoms | 34 |
| Complexity | 1278.2323 |
Chemical Identifiers
| CAS Number | 577769-71-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)Cl)\O)/C(=O)C(=O)N2C4=CC=CC=N4 |
Product Overview
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate (CAS 577769-71-2), with molecular formula C27H25ClN2O4 and molecular weight 476.15 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate
Property Insights of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate
The XLogP value of 5.6674 indicates that (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate. Following Lipinski's Rule of Five, (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate?
The CAS number of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate is 577769-71-2.
What is the molecular formula of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate?
The molecular formula of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate is C27H25ClN2O4.
What is the molecular weight of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate?
The molecular weight of (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate is 476.15 g/mol.
Where can I buy (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate?
You can request a quote for (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate?
Yes, KEHONG BIO provides custom synthesis services for (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](3-chloro-4-methoxyphenyl)methanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.