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CAS 24641-31-4 2-(4-Bromophenyl)quinoline molecular structure lightbox
CAS RN: 24641-31-4

2-(4-Bromophenyl)quinoline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINB891753
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24641-31-4 / 2-(4-bromophenyl)quinoline

Standard CAS: 24641-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24641-31-4
Multi CAS
No
Molecular Formula
C15H10BrN
Molecular Weight
284.150000
Exact Mass
282.999660
InChI
InChI=1S/C15H10BrN/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-10H
InChIKey
SEVBQRQACXXUJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.88
TPSA
12.89

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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