CAS RN: 54147-91-0
2′-Bromobiphenyl-2-amine
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.20250910 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54147-91-0
- Purity/Analytical Methods: >99.0%
54147-91-0 / 2-(2-bromophenyl)aniline
Basic Information
CAS
54147-91-0
Multi CAS
No
Molecular Formula
BC12H10Rn
Molecular Weight
248.120000
Exact Mass
246.999660
InChI
InChI=1S/C12H10BrN/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,14H2
InChIKey
RNHROIARQQOJTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.99
TPSA
26.02
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
3.9
Consensus LogP
3.62
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
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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