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CAS 1342486-86-5 8-broMo-2-chloro-6-fluoroquinoline molecular structure lightbox
CAS RN: 1342486-86-5

8-broMo-2-chloro-6-fluoroquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1342486-86-5
  • Purity/Analytical Methods: >99.0%
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1342486-86-5 / 8-bromo-2-chloro-6-fluoroquinoline

Standard CAS: 1342486-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1342486-86-5
Multi CAS
No
Molecular Formula
C9H4BrClFN
Molecular Weight
260.490000
Exact Mass
258.919970
SMILES
C1=CC(=NC2=C(C=C(C=C21)F)Br)Cl
InChI
InChI=1S/C9H4BrClFN/c10-7-4-6(12)3-5-1-2-8(11)13-9(5)7/h1-4H
InChIKey
YMADBWLQIMWVPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.41
TPSA
12.89

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.62

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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