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CAS 313484-93-4 Tetra(4-acetylphenyl)methane molecular structure lightbox
CAS RN: 313484-93-4

Tetra(4-acetylphenyl)methane

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS313484-93-4
  • Purity/Analytical Methods: >99.0%
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313484-93-4 / 1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone

Standard CAS: 313484-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313484-93-4
Multi CAS
No
Molecular Formula
C33H28O4
Molecular Weight
488.600000
Exact Mass
488.198759
InChI
InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3
InChIKey
CAFYIOYXMUILEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
144.77
TPSA
68.28

LogP / Solubility

WLOGP
6.88
MLOGP
6.09
XLogP3
5.7
Consensus LogP
6.22
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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