![4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/6183/618361-40-3.webp)
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one (CAS 618361-40-3) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one, 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 4.0371 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 1267.9377 |
Chemical Identifiers
| CAS Number | 618361-40-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5 |
Product Overview
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one (CAS 618361-40-3), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.0371 indicates that 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 6 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-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is 618361-40-3.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is C27H24N2O5.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one is 456.17 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-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-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.