CAS RN: 24253-40-5
1,1′:2′,1”-Terphenyl, 4′-bromo-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24253-40-5
- Purity/Analytical Methods: >99.0%
24253-40-5 / 4-bromo-1,2-diphenylbenzene
Basic Information
CAS
24253-40-5
Multi CAS
No
Molecular Formula
C18H13Br
Molecular Weight
309.200000
Exact Mass
308.020060
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C18H13Br/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-13H
InChIKey
PZRFVWIUESOINJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
85.01
TPSA
0.0000
LogP / Solubility
WLOGP
5.78
MLOGP
5.1
XLogP3
5.9
Consensus LogP
5.59
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
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
No
Log Kp (skin permeation)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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