![4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/6231/623131-41-9.webp)
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one (CAS 623131-41-9) is a chemical compound with molecular formula C28H32N2O6 and molecular weight 492.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(4-tert-butylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one, 4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(4-tert-butylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
| Molecular Formula | C28H32N2O6 |
|---|---|
| Molecular Weight | 492.23 g/mol |
| LogP | 3.4667 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.22604 |
| Heavy Atoms | 36 |
| Complexity | 1191.5109 |
Chemical Identifiers
| CAS Number | 623131-41-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C(=O)N2CCN5CCOCC5 |
Product Overview
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one (CAS 623131-41-9), with molecular formula C28H32N2O6 and molecular weight 492.23 g/mol. IUPAC: 4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(4-tert-butylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 3.4667 indicates that 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-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-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one is 623131-41-9.
What is the molecular formula of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one is C28H32N2O6.
What is the molecular weight of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one is 492.23 g/mol.
Where can I buy 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-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-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.