1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 575470-65-4) is a chemical compound with molecular formula C27H23NO6 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, 1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H23NO6 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.0883 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.15253 |
| Heavy Atoms | 34 |
| Complexity | 1283.2876 |
Chemical Identifiers
| CAS Number | 575470-65-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5 |
Product Overview
1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 575470-65-4), with molecular formula C27H23NO6 and molecular weight 457.15 g/mol. IUPAC: 1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.0883 indicates that 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-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 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 575470-65-4.
What is the molecular formula of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is C27H23NO6.
What is the molecular weight of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 457.15 g/mol.
Where can I buy 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-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 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.