4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 780775-35-1) is a chemical compound with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazole-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
Also Known As: 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one, 3-(1,3-benzothiazole-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one, 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one, 4-(1,3-benzothiazole-2-carbonyl)-3-hydroxy-5-(4-methylphenyl)-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 3.90532 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1211.4241 |
Chemical Identifiers
| CAS Number | 780775-35-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=NC5=CC=CC=C5S4 |
Product Overview
4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 780775-35-1), with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol. IUPAC: 3-(1,3-benzothiazole-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
Chemical Property Profile of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 3.90532 indicates that 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one is 780775-35-1.
What is the molecular formula of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one is C26H27N3O4S.
What is the molecular weight of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one is 477.17 g/mol.
Where can I buy 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-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-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzothiazol-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1-(3-morpholinopropyl)-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.