![1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one structure](/static/products/5141/514191-86-7.webp)
1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one
TL;DR: 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one (CAS 514191-86-7) is a chemical compound with molecular formula C27H24N2O4S2 and molecular weight 504.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-5-(4-isopropylphenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H24N2O4S2 |
|---|---|
| Molecular Weight | 504.12 g/mol |
| LogP | 6.6628 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.11774 |
| Heavy Atoms | 35 |
| Complexity | 1435.8872 |
Chemical Identifiers
| CAS Number | 514191-86-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)C |
Product Overview
1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one (CAS 514191-86-7), with molecular formula C27H24N2O4S2 and molecular weight 504.12 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one
Property Insights of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one
The XLogP value of 6.6628 indicates that 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one 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 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one. Following Lipinski's Rule of Five, 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one?
The CAS number of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one is 514191-86-7.
What is the molecular formula of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one?
The molecular formula of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one is C27H24N2O4S2.
What is the molecular weight of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one?
The molecular weight of 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one is 504.12 g/mol.
Where can I buy 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one?
You can request a quote for 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-[4-(methylethyl)phenyl]-4-(2-thienyl carbonyl)-3-pyrrolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.