![(E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate structure](/static/products/3843/384377-69-9.webp)
(E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
TL;DR: (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate (CAS 384377-69-9) is a chemical compound with molecular formula C24H18N2O5S3 and molecular weight 510.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(4-methylphenyl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate, 3-hydroxy-1-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-5-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-5-(4-methylphenyl)-1-[6-(methylsulfonyl)benzothiazol-2-yl]-4-(2-thie nylcarbonyl)-3-pyrrolin-2-one, 4-hydroxy-2-(4-methylphenyl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C24H18N2O5S3 |
|---|---|
| Molecular Weight | 510.04 g/mol |
| LogP | 4.85262 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.03778 |
| Heavy Atoms | 34 |
| Complexity | 1583.2878 |
Chemical Identifiers
| CAS Number | 384377-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)O)C(=O)C5=CC=CS5 |
Product Overview
(E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate (CAS 384377-69-9), with molecular formula C24H18N2O5S3 and molecular weight 510.04 g/mol. IUPAC: 4-hydroxy-2-(4-methylphenyl)-1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Property Insights of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
The XLogP value of 4.85262 indicates that (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate. Following Lipinski's Rule of Five, (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate has 1 hydrogen bond donor(s) and 8 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-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate?
The CAS number of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate is 384377-69-9.
What is the molecular formula of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate?
The molecular formula of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate is C24H18N2O5S3.
What is the molecular weight of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate?
The molecular weight of (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate is 510.04 g/mol.
Where can I buy (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate?
You can request a quote for (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)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-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate?
Yes, KEHONG BIO provides custom synthesis services for (E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.