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CAS 1382735-12-7 4,4-dibromo-2,2′,2,5,5′,5-hexamethyl-1,1′:4′,1-terphenyl molecular structure lightbox
CAS RN: 1382735-12-7

4,4-dibromo-2,2′,2,5,5′,5-hexamethyl-1,1′:4′,1-terphenyl

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg In stock Shanghai Inquiry
Batchno.20260130 1g In stock Shanghai Inquiry
Batchno.20250401 250mg In stock Shanghai Inquiry
  • Product code: LIND913886
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1382735-12-7 / 1,4-bis(4-bromo-2,5-dimethylphenyl)-2,5-dimethylbenzene

Standard CAS: 1382735-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1382735-12-7
Multi CAS
No
Molecular Formula
C24H24Br2
Molecular Weight
472.300000
Exact Mass
472.022430
SMILES
CC1=CC(=C(C=C1C2=C(C=C(C(=C2)C)Br)C)C)C3=C(C=C(C(=C3)C)Br)C
InChI
InChI=1S/C24H24Br2/c1-13-7-20(22-10-18(6)24(26)12-16(22)4)14(2)8-19(13)21-9-17(5)23(25)11-15(21)3/h7-12H,1-6H3
InChIKey
GFKHYMZMLDLPTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
121.14
TPSA
0.0000

LogP / Solubility

WLOGP
8.4
MLOGP
7.42
XLogP3
8.7
Consensus LogP
8.17
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.94
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)
0.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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