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CAS 127827-54-7 6-bromo-7-chloroquinoline molecular structure lightbox
CAS RN: 127827-54-7

6-bromo-7-chloroquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS127827-54-7
  • Purity/Analytical Methods: >99.0%
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127827-54-7 / 6-bromo-7-chloroquinoline

Standard CAS: 127827-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127827-54-7
Multi CAS
No
Molecular Formula
C9H5BrClN
Molecular Weight
242.500000
Exact Mass
240.929390
SMILES
C1=CC2=CC(=C(C=C2N=C1)Cl)Br
InChI
InChI=1S/C9H5BrClN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h1-5H
InChIKey
LTMBJODLNOMUAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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
Leadlikeness
No
Synthetic Accessibility
1.5

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