![(4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione structure](/static/products/607/607688-06-2.png)
(4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
TL;DR: (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione (CAS 607688-06-2) is a chemical compound with molecular formula C31H30N2O4S and molecular weight 526.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, 1-(4,6-dimethylbenzothiazol-2-yl)-5-[4-(tert-butyl)phenyl]-3-hydroxy-4-[(3-met hoxyphenyl)carbonyl]-3-pyrrolin-2-one, 5-(4-(tert-butyl)phenyl)-1-(4,6-dimethylbenzo[d]thiazol-2-yl)-3-hydroxy-4-(3-methoxybenzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C31H30N2O4S |
|---|---|
| Molecular Weight | 526.19 g/mol |
| LogP | 6.84554 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.1926 |
| Heavy Atoms | 38 |
| Complexity | 1609.3923 |
Chemical Identifiers
| CAS Number | 607688-06-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(/C(=C(/C4=CC(=CC=C4)OC)\O)/C(=O)C3=O)C5=CC=C(C=C5)C(C)(C)C)C |
Product Overview
(4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione (CAS 607688-06-2), with molecular formula C31H30N2O4S and molecular weight 526.19 g/mol. IUPAC: (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Property Insights of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
The XLogP value of 6.84554 indicates that (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione 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 (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 6 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)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
The CAS number of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is 607688-06-2.
What is the molecular formula of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
The molecular formula of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is C31H30N2O4S.
What is the molecular weight of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
The molecular weight of (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is 526.19 g/mol.
Where can I buy (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
You can request a quote for (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]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)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.