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5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure
Fine Chemical

5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

TL;DR: 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212117-41-3) is a chemical compound with molecular formula C30H32N2O6 and molecular weight 516.226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-(4-hexoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Also Known As: 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-hexoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-[4-(hexyloxy)phenyl]-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

CAS Number
1212117-41-3
Molecular Formula
C30H32N2O6
Molecular Weight
516.226 g/mol
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Technical Specifications

Molecular FormulaC30H32N2O6
Molecular Weight516.226 g/mol
XLogP6.0
Topological Polar Surface Area (TPSA)88.5 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds10
Exact Mass516.226 Da
Heavy Atoms38
Complexity796.0
SMILESCCCCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)O)OC
InChIKeyNWLXEDGWYHCHDE-UHFFFAOYSA-N

Chemical Property Profile of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

XLogP
6.0
TPSA (Topological Polar Surface Area)
88.5
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
10
Heavy Atoms
38
Complexity
796.0
Exact Mass
516.226
Monoisotopic Mass
516.226
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 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

The XLogP value of 6.0 indicates that 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The CAS number of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1212117-41-3.

What is the molecular formula of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular formula of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C30H32N2O6.

What is the molecular weight of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular weight of 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 516.226 g/mol.

Where can I buy 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

You can request a quote for 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

Yes, CoreyChem provides custom synthesis services for 5-(4-(hexyloxy)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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