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CAS 67448-47-9 1,1,2,2-Tetrakis(4-(bromomethyl)phenyl)-ethene molecular structure lightbox
CAS RN: 67448-47-9

1,1,2,2-Tetrakis(4-(bromomethyl)phenyl)-ethene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Shanghai Inquiry
Batchno.20250518 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260608 1g In stock Shanghai Inquiry
Batchno.20251207 250mg In stock Shanghai Inquiry
  • Product code: LINT914263
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67448-47-9 / 1-(bromomethyl)-4-[1,2,2-tris[4-(bromomethyl)phenyl]ethenyl]benzene

Standard CAS: 67448-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67448-47-9
Multi CAS
No
Molecular Formula
C30H24BR4
Molecular Weight
704.100000
Exact Mass
703.857050
InChI
InChI=1S/C30H24Br4/c31-17-21-1-9-25(10-2-21)29(26-11-3-22(18-32)4-12-26)30(27-13-5-23(19-33)6-14-27)28-15-7-24(20-34)8-16-28/h1-16H,17-20H2
InChIKey
KCIORTLGKIWOOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
8
Molar refractivity
161.31
TPSA
0.0000

LogP / Solubility

WLOGP
10.27
MLOGP
9.1
XLogP3
10.2
Consensus LogP
9.86
Log S (ESOL)
-10.67
Class (ESOL)
Insoluble
Log S (Ali)
-12.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.28

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
3

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