![(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione structure](/static/products/514/514189-23-2.png)
(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
TL;DR: (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione (CAS 514189-23-2) is a chemical compound with molecular formula C29H25ClN2O3S and molecular weight 516.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione, (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione, 5-(4-(tert-butyl)phenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(6-methylbenzo[d]thiazol-2-yl)-1H-pyrrol-2(5H)-one, 5-[4-(tert-butyl)phenyl]-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(6-methylben zothiazol-2-yl)-3-pyrrolin-2-one
| Molecular Formula | C29H25ClN2O3S |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 7.18192 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.12744 |
| Heavy Atoms | 36 |
| Complexity | 1529.7892 |
Chemical Identifiers
| CAS Number | 514189-23-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=C(C=C5)C(C)(C)C |
Product Overview
(4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione (CAS 514189-23-2), with molecular formula C29H25ClN2O3S and molecular weight 516.13 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Property Insights of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
The XLogP value of 7.18192 indicates that (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione 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 (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione?
The CAS number of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione is 514189-23-2.
What is the molecular formula of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione?
The molecular formula of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione is C29H25ClN2O3S.
What is the molecular weight of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione?
The molecular weight of (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione is 516.13 g/mol.
Where can I buy (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione?
You can request a quote for (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.