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CAS 54395-52-7 2,2-BIS[4-(N-METHYLPHTHALIMIDO-4-OXY)PHENYL]PROPANE molecular structure lightbox
CAS RN: 54395-52-7

2,2-BIS[4-(N-METHYLPHTHALIMIDO-4-OXY)PHENYL]PROPANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250207 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS54395-52-7
  • Purity/Analytical Methods: >99.0%
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54395-52-7 / 2-methyl-5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

Standard CAS: 54395-52-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
54395-52-7
Multi CAS
Yes
Molecular Formula
C33H26N2O6
Molecular Weight
546.600000
Exact Mass
546.179087
InChI
InChI=1S/C33H26N2O6/c1-33(2,19-5-9-21(10-6-19)40-23-13-15-25-27(17-23)31(38)34(3)29(25)36)20-7-11-22(12-8-20)41-24-14-16-26-28(18-24)32(39)35(4)30(26)37/h5-18H,1-4H3
InChIKey
QXYUOZCGMWHVJB-UHFFFAOYSA-N

Physical Properties

Physical Description
Water or Solvent Wet Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
150.89
TPSA
93.22

LogP / Solubility

WLOGP
6.05
MLOGP
5.36
XLogP3
5.7
Consensus LogP
5.7
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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