4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one (CAS 780790-39-8) is a chemical compound with molecular formula C24H21N3O5S and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
Also Known As: 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-ethoxy-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-ethoxy-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
| Molecular Formula | C24H21N3O5S |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 5.05722 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.12018 |
| Heavy Atoms | 33 |
| Complexity | 1356.7762 |
Chemical Identifiers
| CAS Number | 780790-39-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)O)C4=NC5=CC=CC=C5S4)OC |
Product Overview
4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one (CAS 780790-39-8), with molecular formula C24H21N3O5S and molecular weight 463.12 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.
Chemical Property Profile of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 5.05722 indicates that 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one 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 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one is 780790-39-8.
What is the molecular formula of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one is C24H21N3O5S.
What is the molecular weight of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one is 463.12 g/mol.
Where can I buy 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.