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4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione structure
Fine Chemical

4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione

TL;DR: 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione (CAS 1005270-41-6) is a chemical compound with molecular formula C32H36O6 and molecular weight 516.25116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione

Also Known As: 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione, 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydronaphtho[1,2-c]furan-1,3,9(3aH)-trione, 4,7-bis(4-butoxyphenyl)-4,5,7,8-tetrahydronaphtho[1,2-c]furan-1,3,9(3aH,6H,9bH)-trione

CAS Number
1005270-41-6
Molecular Formula
C32H36O6
Molecular Weight
516.25116 g/mol
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Technical Specifications

Molecular FormulaC32H36O6
Molecular Weight516.25116 g/mol
XLogP5.4
Topological Polar Surface Area (TPSA)78.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds10
Exact Mass516.25116 Da
Heavy Atoms38
Complexity892.0
SMILESCCCCOC1=CC=C(C=C1)C2CC3=C(C4C(C(C3)C5=CC=C(C=C5)OCCCC)C(=O)OC4=O)C(=O)C2
InChIKeyJYGVBDUPDUESNF-UHFFFAOYSA-N

Chemical Property Profile of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione

XLogP
5.4
TPSA (Topological Polar Surface Area)
78.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
10
Heavy Atoms
38
Complexity
892.0
Exact Mass
516.25116
Monoisotopic Mass
516.25116
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 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione

The XLogP value of 5.4 indicates that 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione. Following Lipinski's Rule of Five, 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione?

The CAS number of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione is 1005270-41-6.

What is the molecular formula of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione?

The molecular formula of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione is C32H36O6.

What is the molecular weight of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione?

The molecular weight of 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione is 516.25116 g/mol.

Where can I buy 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione?

You can request a quote for 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione?

Yes, CoreyChem provides custom synthesis services for 4,7-bis(4-butoxyphenyl)-4,5,6,7,8,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3,9-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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