1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione structure

1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione

TL;DR: 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione (CAS 7017-57-4) is a chemical compound with molecular formula C34H31NO5 and molecular weight 533.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione

Also Known As: 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione, 1-benzyl-4-[(3-butoxyphenyl)-hydroxy-methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione, 1-BENZYL-4-[(3-BUTOXYPHENYL)(HYDROXY)METHYLIDENE]-5-(3-PHENOXYPHENYL)PYRROLIDINE-2,3-DIONE

CAS: 7017-57-4
Molecular Formula C34H31NO5
Molecular Weight 533.22 g/mol
LogP 7.2797
Topological Polar Surface Area 76.07 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 533.2202
Heavy Atoms 40
Complexity 1513.8754

Chemical Identifiers

CAS Number 7017-57-4
SMILES CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)O

Product Overview

1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione (CAS 7017-57-4), with molecular formula C34H31NO5 and molecular weight 533.22 g/mol. IUPAC: 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione

XLogP
7.2797
TPSA (Topological Polar Surface Area)
76.07
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
10
Heavy Atoms
40
Complexity
1513.8754
Exact Mass
533.2202
Monoisotopic Mass
533.2202
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione

The XLogP value of 7.2797 indicates that 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione?

The CAS number of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is 7017-57-4.

What is the molecular formula of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione?

The molecular formula of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is C34H31NO5.

What is the molecular weight of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione?

The molecular weight of 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione is 533.22 g/mol.

Where can I buy 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione?

You can request a quote for 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione 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-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione?

Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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