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CAS 1602806-67-6 8-Bromo-4-chloro-3-nitro-quinoline molecular structure lightbox
CAS RN: 1602806-67-6

8-Bromo-4-chloro-3-nitro-quinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1602806-67-6
  • Purity/Analytical Methods: >99.0%
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1602806-67-6 / 8-bromo-4-chloro-3-nitroquinoline

Standard CAS: 1602806-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1602806-67-6
Multi CAS
No
Molecular Formula
C9H4BrClN2O2
Molecular Weight
287.500000
Exact Mass
285.914470
SMILES
C1=CC2=C(C(=CN=C2C(=C1)Br)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H4BrClN2O2/c10-6-3-1-2-5-8(11)7(13(14)15)4-12-9(5)6/h1-4H
InChIKey
NIUWHFXFGJZPRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.11
TPSA
56.03

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.3
Consensus LogP
3.33
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.95

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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