CAS RN: 178820-38-7
4-Bromo-3,4,5-trifluoro-1,1-biphenyl
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.20250208 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS178820-38-7
- Purity/Analytical Methods: >99.0%
178820-38-7 / 5-(4-bromophenyl)-1,2,3-trifluorobenzene
Basic Information
CAS
178820-38-7
Multi CAS
No
Molecular Formula
C12H6BrF3
Molecular Weight
287.070000
Exact Mass
285.960500
SMILES
C1=CC(=CC=C1C2=CC(=C(C(=C2)F)F)F)Br
InChI
InChI=1S/C12H6BrF3/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
InChIKey
UUOZYACCZRHIJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.45
TPSA
0.0000
LogP / Solubility
WLOGP
4.53
MLOGP
4
XLogP3
4.5
Consensus LogP
4.34
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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