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CAS 71331-02-7 7-bromo-8-nitroquinoline molecular structure lightbox
CAS RN: 71331-02-7

7-bromo-8-nitroquinoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250905 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71331-02-7
  • Purity/Analytical Methods: >99.0%
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71331-02-7 / 7-chloro-8-nitroquinoline

Standard CAS: 71331-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71331-02-7
Multi CAS
No
Molecular Formula
C9H5CLN2O2
Molecular Weight
208.600000
Exact Mass
208.003955
InChI
InChI=1S/C9H5ClN2O2/c10-7-4-3-6-2-1-5-11-8(6)9(7)12(13)14/h1-5H
InChIKey
AHRUOBCIEORMLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.41
TPSA
56.03

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-2.01

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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